SCHEMBL14648554

SCHEMBL14648554

CCOc1ccnc(CSc2nc3cc4[nH]cnc4cc3[nH]2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.53
CYP3A4 P08684 7/20 0.53
CYP2D6 P10635 7/20 0.53
CYP2C19 P33261 7/20 0.53
CYP2C9 P11712 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
BRS3 P32247 1/20 0.42
CYP2E1 P05181 5/20 0.42
CYP2C8 P10632 5/20 0.42
CYP2B6 P20813 5/20 0.42
HPGD P15428 1/20 0.41
PTGS2 P35354 2/20 0.37
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL14648552 0.88 CYP2C9 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL12438588 0.88 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL26762358 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL26765183 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL26639245 0.82 RAB9A (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL29527371 0.82 RAB9A (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL12439117 0.82 BRS3 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL2990343 0.81 RAB9A (0.77) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL26762361 0.80 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL9784679 0.80 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 CYP1A2 311/4885CYP3A4 47/4885CYP2D6 152/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 CYP1A2 311/4885CYP3A4 47/4885CYP2D6 152/4885

“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.