SCHEMBL3336641

SCHEMBL3336641

Ic1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
ALDH1A1 P00352 9/20 0.64
KDM4E B2RXH2 9/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HSD17B10 Q99714 5/20 0.64
NPSR1 Q6W5P4 4/20 0.64
PKM P14618 3/20 0.64
TP53 P04637 2/20 0.64
ABCB11 O95342 1/20 0.64
HPGD P15428 6/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
GLA P06280 1/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
GBA1 P04062 1/20 0.61
CDK1 P06493 1/20 0.57
CDK2 P24941 1/20 0.57

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
SCHEMBL227743 0.86 NPC1 (0.78) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29484669 0.80 ALDH1A1 (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2090942 0.80 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28739238 0.80 ALDH1A1 (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20677815 0.80 NPC1 (0.75) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30634854 0.80 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30561047 0.80 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL172216 0.80 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL297468 0.79 RAB9A (0.67) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3170855 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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 NPC1 223/4885RAB9A 687/4885ALDH1A1 448/4885

“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.