SCHEMBL5656107

SCHEMBL5656107

Nc1ccc(SCc2cccnc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
CHRNA7 P36544 1/20 0.42
PDE7A Q13946 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 2/20 0.40
LMNA P02545 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
AR P10275 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5656661 0.84 HPGD (0.45) CHRNA7NPC1RAB9AKDM4EHTT
SCHEMBL23092549 0.82 POLB (0.55) CCR2PDE7ANPC1RAB9AHTT
SCHEMBL29715308 0.82 POLB (0.55) CCR2PDE7ANPC1RAB9AHTT
SCHEMBL5656082 0.80 GAA (0.47) CHRNA7NPC1RAB9AKDM4EHTT
SCHEMBL5657054 0.80 CCR2 (0.49) CCR2CHRNA7NPC1RAB9AKDM4E
SCHEMBL5654451 0.75 RAB9A (0.50) CHRNA7NPC1RAB9AKDM4EHTT
SCHEMBL9719813 0.72 SYK (0.52) CCR2PDE7ANPC1RAB9AKDM4E
SCHEMBL5659002 0.72 RAB9A (0.53) CHRNA7NPC1RAB9AKDM4EHTT
SCHEMBL4422123 0.71 CYP19A1 (0.55) NPC1RAB9AHTTMAPTLMNA
SCHEMBL11362922 0.71 PDE7A (0.46) PDE7AHTTSMN1; SMN2MAPTITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CCR2 1368/4885CHRNA7 369/4885PDE7A 4305/4885

“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.