SCHEMBL3341622

SCHEMBL3341622

Cc1cc2nc(-c3ccccc3Cl)[nH]c2cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 5/20 0.65
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
AMY1A P0DUB6 6/20 0.63
MGAM O43451 1/20 0.60
GAA P10253 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
ATM Q13315 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
CBFB Q13951 1/20 0.56
NPBWR1 P48145 1/20 0.56
ADORA3 P0DMS8 1/20 0.54
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4494716 0.89 NPC1 (0.68) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL2946648 0.85 NPC1 (0.70) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL12072142 0.81 NPC1 (0.71) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL12145570 0.81 AMY1A (0.59) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL7398247 0.81 AMY1A (0.71) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL3336168 0.81 AMY1A (0.56) GUSBNPC1RAB9AAMY1AATM
SCHEMBL13405888 0.79 ALDH1A1 (0.71) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL21111726 0.79 RAB9A (0.56) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL162191 0.78 NPC1 (1.00) GUSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL29695905 0.78 NPC1 (1.00) GUSBNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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 (1 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 GUSB 2936/4885NPC1 223/4885RAB9A 687/4885

“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.