SCHEMBL3862889

SCHEMBL3862889

O=[N+]([O-])c1cc(O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
CTSB P07858 1/20 0.42
GAA P10253 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
PKM P14618 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP6 P55212 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28720537 0.77 TSHR (0.48) ALDH1A1ALOX15TSHRMAPTGAA
SCHEMBL15429537 0.76 NPBWR1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7375340 0.76 GUCY1B2 (0.50) ALDH1A1ALOX15MAPTKDM4EMEN1
SCHEMBL652346 0.75 MEN1 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5700377 0.75 GABRA1 (0.37) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL7985686 0.75 GABRA1 (0.37) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL3614808 0.75 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL19791860 0.75 TDP1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL826540 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL7697285 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070923-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND JW PHARMACEUTICAL CORP (KR) 2026-03-12 US disclosed
US-12497410-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound JW PHARMACEUTICAL CORPORATION (KR) 2025-12-16 US disclosed
CN-119143779-A Process for preparing heterocyclic derivative compounds, compositions containing the compounds and hydrates of the compounds JW 制药公司 2024-12-17 CN disclosed
EP-3909956-B1 HYDROCHLORIDE SALT 1.5 HYDRATE OF AN HETEROCYCLIC DERIVATIVE COMPOUND JW PHARMACEUTICAL CORP (KR) 2024-12-04 EP disclosed
US-12103938-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound JW PHARMACEUTICAL CORPORATION (KR) 2024-10-01 US disclosed
CN-114085235-B Process for preparing heterocyclic derivative compounds, compositions containing the compounds and hydrates of the compounds JW 制药公司 2024-08-13 CN disclosed
US-12030895-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound JW PHARMACEUTICAL CORPORATION (KR) 2024-07-09 US disclosed
US-20240083911-A1 Method For Preparing Heterocyclic Derivative Compound, Composition Containing Same Compound, And Hydrate of Same Compound JW PHARMACEUTICAL CORPORATION (KR) 2024-03-14 US disclosed
US-20240067659-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND JW PHARMACEUTICAL CORPORATION (KR) 2024-02-29 US disclosed
US-11866448-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound JW PHARMACEUTICAL CORPORATION (KR) 2024-01-09 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
EP-0138983-B1 N-PHENYL-N'-(PYRIDINYL-N-OXIDE)UREA PLANT REGULATORS FMC Corporation (US) 1989-05-10 EP disclosed
US-4046896-A 1-Methyl-2-(pyridyl-oxymethyl)-5-nitro-imidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240083911-A1 Method For Preparing Heterocyclic Derivative Compound, Composition Containing Same Compound, And Hydrate of Same Compound REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-12103938-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-20260070923-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND SLC26A3, SLC10A6, SLC14A1 ALDH1A1 176/4885ALOX15 612/4885TSHR 2678/4885
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 ALDH1A1 1070/4885ALOX15 2480/4885TSHR 236/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 ALDH1A1 1017/4885ALOX15 2260/4885TSHR 147/4885
US-11866448-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 ALDH1A1 166/4885ALOX15 2431/4885TSHR 1284/4885
US-20240067659-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-12497410-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-12030895-B2 Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound REN, NOD1, NLRP3 ALDH1A1 1108/4885ALOX15 812/4885TSHR 3151/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 ALDH1A1 1247/4885ALOX15 2505/4885TSHR 442/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.