SCHEMBL644782

SCHEMBL644782

O=C(O)c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 8/20 0.63
TPMT P51580 1/20 0.63
GPR35 Q9HC97 3/20 0.59
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
HTR1A P08908 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
RARB P10826 1/20 0.59
COMT P21964 1/20 0.59
SLC6A2 P23975 1/20 0.59
ADORA1 P30542 1/20 0.59
ADRA1A P35348 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
KLF10 Q13118 1/20 0.59

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
SCHEMBL30606818 1.00 TTR (0.63) TTRTPMTGPR35ABCC3ABCC4
SCHEMBL16098896 0.92 TTR (0.59) TTRTPMTGPR35ABCC3ABCC4
SCHEMBL503443 0.90 CASP6 (0.62) TTRTPMTGPR35ALDH1A1LMNA
SCHEMBL7368380 0.86 TTR (0.81) TTRGPR35ABCC3ABCC4NR1I2
SCHEMBL3768831 0.85 TTR (0.55) TTRTPMTGPR35KDM4EALDH1A1
SCHEMBL7375755 0.85 TTR (0.59) TTRGPR35ABCC3ABCC4NR1I2
SCHEMBL8726192 0.85 TTR (0.59) TTRGPR35ABCC3ABCC4NR1I2
Bromide SCHEMBL7365276 0.85 TTR (0.78) TTRGPR35ABCC3ABCC4NR1I2
SCHEMBL6036460 0.83 TTR (0.62) TTRGPR35ABCC3ABCC4NR1I2
SCHEMBL8731833 0.83 TTR (0.61) TTRGPR35ABCC3ABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003404-A High ammonia nitrogen wastewater treatment reagent 苏州森荣环保处置有限公司 2023-11-07 CN claimed
US-9642810-B2 Formulation containing carbidopa, levodopa, and entacapone MYLAN INC. (US) 2017-05-09 US claimed
US-20160022589-A1 FORMULATION CONTAINING CARBIDOPA, LEVODOPA, AND ENTACAPONE MYLAN INC. 2016-01-28 US claimed
WO-2014151742-A1 FORMULATION CONTAINING CARBIDOPA, LEVODOPA, AND ENTACAPONE MYLAN, INC. (US) 2014-09-25 WO claimed
WO-2014147464-A2 NOVEL PROCESS FOR THE PREPARATION OF TOLCAPONE RA CHEM PHARMA LIMITED (IN) 2014-09-25 WO claimed
US-20260035341-A1 FTO INHIBITORS RPXDS CO LTD (CN) 2026-02-05 US disclosed
CN-117003404-A High ammonia nitrogen wastewater treatment reagent 苏州森荣环保处置有限公司 2023-11-07 CN disclosed
US-20220098215-A1 DUOCARMYCIN ANALOGUES AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 US disclosed
EP-3917933-A1 DUOCARMYCIN ANALOGUES Auckland Uniservices Limited (NZ) 2021-12-08 EP disclosed
CN-113439084-A Duocarmycin analogs 奥克兰联合服务有限公司 2021-09-24 CN disclosed
WO-2020157662-A1 DUOCARMYCIN ANALOGUES AUCKLAND UNISERVICES LIMITED (NZ) 2020-08-06 WO disclosed
US-9642810-B2 Formulation containing carbidopa, levodopa, and entacapone MYLAN INC. (US) 2017-05-09 US disclosed
CN-1170405-A Aryl and heteroaryl sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN LA ROCHE (CH) 1998-01-14 CN disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP 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 (2 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-20260035341-A1 FTO INHIBITORS FTO, LDLR, GPR119 TTR 655/4885TPMT 589/4885GPR35 977/4885
US-20220098215-A1 DUOCARMYCIN ANALOGUES TOP2A, TOP2B, MUS81 TTR 4882/4885TPMT 164/4885GPR35 4627/4885

“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.