SCHEMBL5654368

SCHEMBL5654368

Cc1cccc2ncc(CSc3ccc(N)cc3)n12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DHFR P00374 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
SCHEMBL5656598 0.81 ALDH1A1 (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5655890 0.75 GGPS1 (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL22301172 0.75 TGFBR1 (0.39) RAB9AKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5655359 0.73 CYP1A2 (0.40) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL22300406 0.73 HTT (0.37) RAB9AKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9883731 0.72 ALDH1A1 (0.36) RAB9ASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL5655579 0.71 KMT2A (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23872246 0.69 HTT (0.42) RAB9AKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29114336 0.66 RAB9A (0.43) RAB9ANPC1ALDH1A1LMNAPKM
SCHEMBL5655615 0.63 SMN1; SMN2 (0.50) RAB9ANPC1MEN1KMT2AMAPT

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 RAB9A 2546/4885NPC1 2059/4885MEN1 729/4885

“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.