SCHEMBL5657484

SCHEMBL5657484

CC(=O)OC(C)n1cncc1CSc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL5654832 0.78 ALDH1A1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL5657192 0.77 FPR2 (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL27762024 0.76 GABRA1 (0.35) ALDH1A1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL27811681 0.76 GABRA1 (0.37) ALDH1A1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL5657489 0.74 ADORA2B (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL21558438 0.71 NPC1 (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL21558286 0.69 ALDH1A1 (0.38) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL6526804 0.67 MEN1 (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL21558283 0.65 TLR8 (0.37) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL21558432 0.63 NPC1 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A

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 MEN1 729/4885NPC1 2059/4885ALDH1A1 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.