SCHEMBL5657489

SCHEMBL5657489

CC(=O)OCCn1cncc1CSc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.36
ACACB O00763 1/20 0.34
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
ADRA1A P35348 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL6526804 0.80 MEN1 (0.36) ADORA2BALDH1A1KMT2AMEN1GAA
SCHEMBL5654832 0.78 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21558283 0.78 TLR8 (0.37) ALDH1A1KMT2AMEN1GAANPC1
SCHEMBL21558286 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAANPC1
SCHEMBL5657194 0.77 ADORA2B (0.36) ADORA2BALDH1A1KMT2AMEN1GAA
SCHEMBL27762022 0.76 ADORA2B (0.44) ADORA2BACACBALDH1A1KMT2AMEN1
SCHEMBL27811680 0.76 ADORA2B (0.44) ADORA2BACACBALDH1A1KMT2AMEN1
SCHEMBL5657484 0.74 MEN1 (0.31) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21558438 0.74 NPC1 (0.36) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7111764 0.72 CYP3A4 (0.41) ALDH1A1KMT2AMEN1GAANPC1

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 ADORA2B 474/4885ACACB 1852/4885ALDH1A1 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.