SCHEMBL14648552

SCHEMBL14648552

COCCCOc1ccnc(CSc2nc3cc4[nH]cnc4cc3[nH]2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.50
CYP2D6 P10635 7/20 0.50
CYP2C19 P33261 7/20 0.50
CYP1A2 P05177 6/20 0.50
CYP3A4 P08684 6/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
WDR5 P61964 2/20 0.44
DDAH1 O94760 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
IDE P14735 1/20 0.44
HPGD P15428 1/20 0.44
ADRA2B P18089 1/20 0.44
TBXA2R P21731 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8501930 0.88 CYP2C9 (0.53) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL14648554 0.88 CYP1A2 (0.53) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL8501299 0.85 CYP2C9 (0.55) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL14237996 0.85 CYP2C9 (0.48) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL12438588 0.85 CYP1A2 (0.71) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL8503057 0.83 CYP2C9 (0.53) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL8504230 0.83 CYP2C9 (0.53) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL14648549 0.83 CYP2C9 (0.48) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL29538889 0.83 RAB9A (0.71) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL1306777 0.83 RAB9A (0.71) CYP2C9CYP2D6CYP2C19CYP1A2CYP3A4

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
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
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-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
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 CYP2C9 94/4885CYP2D6 152/4885CYP2C19 37/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 CYP2C9 94/4885CYP2D6 152/4885CYP2C19 37/4885

“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.