SCHEMBL2313567

SCHEMBL2313567

CCCC(CC(=O)OCC)n1c(=O)n(C(C)c2c[nH]c3cccc(C)c23)c2cc(C)c(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.34
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
PKM P14618 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2315122 0.94 CMA1 (0.36) CMA1THRATHRBPKMGPR84
SCHEMBL2315129 0.94 CMA1 (0.36) CMA1THRATHRBPKMGPR84
SCHEMBL2312688 0.93 CMA1 (0.33) CMA1THRATHRBPKMGPR84
SCHEMBL2811664 0.92 CMA1 (0.33) CMA1THRATHRBALDH1A1MAPT
SCHEMBL2313765 0.92 ADORA3 (0.33) CMA1THRATHRBALDH1A1HTT
SCHEMBL2363703 0.89 THRA (0.32) CMA1THRATHRBALDH1A1
SCHEMBL2357168 0.88 LMNA (0.35) CMA1THRATHRBMAPTHSD17B10
SCHEMBL1294790 0.88 CMA1 (0.34) CMA1PKMALDH1A1MAPTHSD17B10
SCHEMBL1294792 0.88 CMA1 (0.34) CMA1PKMALDH1A1MAPTHSD17B10
SCHEMBL1295114 0.87 CMA1 (0.41) CMA1THRBNLRP3ALDH1A1MAPT

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 CMA1 1/4885THRA 4371/4885THRB 4204/4885

“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.