SCHEMBL5654331

SCHEMBL5654331

Cc1nnc(CSc2ccc(N)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 4/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15219435 0.83 RAB9A (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31043960 0.74 RAB9A (0.49) NPC1RAB9AALDH1A1KMT2ATSHR
SCHEMBL655930 0.73 MAPT (0.46) NPC1RAB9AALDH1A1TSHRMAPT
SCHEMBL14874672 0.72 GFER (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5655615 0.67 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5656658 0.67 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5391372 0.66 ALDH1A1 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20132338 0.66 MEN1 (0.67) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5122923 0.65 ALDH1A1 (0.80) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5656448 0.65 RAB9A (0.39) NPC1RAB9AALDH1A1MEN1KMT2A

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 NPC1 2059/4885RAB9A 2546/4885ALDH1A1 519/4885

“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.