SCHEMBL3336689

SCHEMBL3336689

Fc1ccc(-c2nc3ccccc3[nH]2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.68
RAB9A P51151 13/20 0.68
KDM4E B2RXH2 11/20 0.68
SMN1; SMN2 Q16637 10/20 0.68
GAA P10253 1/20 0.61
POLB P06746 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 11/20 0.58
PKM P14618 6/20 0.58
HPGD P15428 5/20 0.58
MAPT P10636 5/20 0.58
HSD17B10 Q99714 4/20 0.58
TP53 P04637 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GFER P55789 1/20 0.58
ABCB11 O95342 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 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
SCHEMBL6258373 0.86 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL6247334 0.85 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL23743192 0.83 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL24075329 0.83 KDM4E (0.68) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL28117058 0.82 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL4175670 0.82 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL17255145 0.82 NPC1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL29386825 0.82 NPC1 (0.88) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL2178266 0.82 NPC1 (0.88) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL3337878 0.81 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2GAA

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.