SCHEMBL5484236

SCHEMBL5484236

C/C(=N\O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
MAPT P10636 5/20 0.59
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 3/20 0.57
GAA P10253 2/20 0.57
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL5484238 1.00 ALDH1A1 (0.67) ALDH1A1CES2CES1MAPTKDM4E
Water SCHEMBL11590842 0.98 ALDH1A1 (0.65) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL18091684 0.85 ALDH1A1 (0.65) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL4382146 0.85 ALDH1A1 (0.65) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL15851064 0.82 ALDH1A1 (0.61) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL7645485 0.82 ALDH1A1 (0.76) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL30780024 0.80 ALDH1A1 (1.00) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL54610 0.80 ALDH1A1 (1.00) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL28335536 0.80 ALDH1A1 (0.58) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL29642587 0.79 ALDH1A1 (0.67) ALDH1A1CES2CES1MAPTKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
US-11753353-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-12 US disclosed
US-11753353-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-12 US disclosed
US-11746069-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-05 US disclosed
US-11746069-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-05 US disclosed
EP-3319928-B1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2022-04-20 EP disclosed
US-11186528-B2 PBX composition BAE SYSTEMS PLC (GB) 2021-11-30 US disclosed
US-20210317051-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2021-10-14 US disclosed
US-20210300838-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2021-09-30 US disclosed
US-20180215678-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2018-08-02 US disclosed
US-20180215678-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2018-08-02 US disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
WO-2017006109-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2017-01-12 WO disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed
US-8535515-B2 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2013-09-17 US disclosed
US-8410145-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US disclosed
US-20100273832-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 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 (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-20100273832-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 78/4885CES2 1431/4885CES1 619/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 ALDH1A1 3212/4885CES2 2697/4885CES1 2294/4885

“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.