SCHEMBL4407294

SCHEMBL4407294

COc1cc(-c2nnc(C)[nH]2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP3A4 P08684 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 5/20 0.43
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
MPI P34949 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
SMPD3 Q9NY59 1/20 0.38
CHEK1 O14757 4/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL5427245 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL29399235 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL48945 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL4412012 0.74 MEN1 (0.39) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL29494721 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Ammonia Solution, Strong SCHEMBL2259240 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL30913021 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Methane SCHEMBL28975440 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL30053031 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL622811 0.73 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-25 US disclosed
US-7138414-B2 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
EP-1523475-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO 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-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SLC5A2, CYP1A2, HBB ALDH1A1 435/4885HSD17B10 1575/4885CYP3A4 12/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 ALDH1A1 259/4885HSD17B10 1501/4885CYP3A4 11/4885

“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.