SCHEMBL5654563

SCHEMBL5654563

CC(=O)On1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5657194 0.78 ADORA2B (0.36) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5657192 0.78 FPR2 (0.32) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5657420 0.76 CCNE1 (0.38) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5657607 0.75 KMT2A (0.41) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5654832 0.74 ALDH1A1 (0.33) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5657818 0.73 PDE4A (0.36) ALDH1A1
SCHEMBL5657825 0.72 ALDH1A1 (0.38) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5657417 0.72 ESR1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5655684 0.71 NPC1 (0.37) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5653814 0.70 TLR8 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1

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.