SCHEMBL3336587

SCHEMBL3336587

Fc1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.67
▸ RAB9A P51151 8/20 0.67
▸ KDM4E B2RXH2 6/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ GPR55 Q9Y2T6 1/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ PKM P14618 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ AMY1A P0DUB6 7/20 0.52
▸ HPGD P15428 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDR P35968 2/20 0.49
▸ PDGFRB P09619 1/20 0.49

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
SCHEMBL3336694 0.84 NPC1 (0.71) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL30046965 0.84 NPC1 (0.71) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL12861190 0.84 NPC1 (0.74) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL31429744 0.83 AMY1A (0.67) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL18311587 0.82 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL12070828 0.82 NPC1 (0.67) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL20698157 0.80 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL29695905 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL162191 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL29554583 0.80 RAB9A (0.52) NPC1RAB9AKDM4EALDH1A1GPR55

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 687/4885KDM4E 220/4885

“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.

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