SCHEMBL2313765

SCHEMBL2313765

CCCC(CC(=O)OCC)n1c(=O)n(C(C)c2c[nH]c3cccc(C)c23)c2cc(N)ccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CMA1 P23946 2/20 0.32
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL2312688 0.92 CMA1 (0.33) CMA1THRATHRB
SCHEMBL2313567 0.92 CMA1 (0.34) ALDH1A1HTTCMA1THRATHRB
SCHEMBL2311476 0.91 CMA1 (0.40) CMA1
SCHEMBL2315122 0.91 CMA1 (0.36) KDM4EALDH1A1CMA1THRATHRB
SCHEMBL2315129 0.91 CMA1 (0.36) KDM4EALDH1A1CMA1THRATHRB
SCHEMBL2811664 0.91 CMA1 (0.33) KDM4EALDH1A1HTTCMA1THRA
SCHEMBL2363703 0.89 THRA (0.32) ALDH1A1CMA1THRATHRB
SCHEMBL2357168 0.87 LMNA (0.35) CMA1THRATHRB
SCHEMBL1294792 0.85 CMA1 (0.34) KDM4EALDH1A1CMA1
SCHEMBL1294790 0.85 CMA1 (0.34) KDM4EALDH1A1CMA1

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-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 ADORA3 4706/4885KDM4E 3615/4885ALDH1A1 2332/4885

“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.