SCHEMBL5654451

SCHEMBL5654451

Nc1ccc(SCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DAO P14920 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
P2RY2 P41231 1/20 0.43
P2RY1 P47900 1/20 0.43
P2RY4 P51582 1/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL14594941 0.84 SMN1; SMN2 (0.52) RAB9ANPC1KMT2AALDH1A1DAO
SCHEMBL8362995 0.83 LMNA (0.62) RAB9ANPC1ALDH1A1DAOL3MBTL1
SCHEMBL1581602 0.83 SMN1; SMN2 (0.54) RAB9ANPC1KMT2AMEN1DAO
SCHEMBL693670 0.79 DAO (0.49) RAB9ANPC1CHRNA7ALDH1A1DAO
SCHEMBL5659002 0.79 RAB9A (0.53) RAB9ANPC1KMT2ACHRNA7MEN1
SCHEMBL5654174 0.78 ALDH1A1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3889607 0.77 NPC1 (0.66) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL5656661 0.76 HPGD (0.45) RAB9ANPC1KMT2ACHRNA7MEN1
SCHEMBL5656107 0.75 CCR2 (0.44) RAB9ANPC1CHRNA7ALDH1A1DAO
SCHEMBL5122923 0.75 ALDH1A1 (0.80) RAB9ANPC1KMT2AMEN1ALDH1A1

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 4 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
EP-0335144-A1 3,4,5-Substituted-4H-1,2,4-triazoles, their preparation and their use BOEHRINGER INGELHEIM KG (DE) 1989-10-04 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 RAB9A 2546/4885NPC1 2059/4885KMT2A 391/4885

“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.