SCHEMBL5657192

SCHEMBL5657192

CC(=O)OC(C)n1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
PABPC1 P11940 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5655684 0.81 NPC1 (0.37) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL5654563 0.78 NPC1 (0.33) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL5657484 0.77 MEN1 (0.31) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL27739347 0.76 FPR2 (0.39) FPR2MAPT
SCHEMBL5657194 0.74 ADORA2B (0.36) FPR2NPC1RAB9AMAPTMEN1
SCHEMBL5657420 0.73 CCNE1 (0.38) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL5657607 0.71 KMT2A (0.41) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL5657825 0.69 ALDH1A1 (0.38) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL27902709 0.68 CYP26A1 (0.37) FPR2MAPT
SCHEMBL5653814 0.67 TLR8 (0.39) NPC1RAB9AMAPTMEN1ALDH1A1

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 FPR2 2833/4885NPC1 2059/4885RAB9A 2546/4885

“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.