SCHEMBL2312582

SCHEMBL2312582

CCC[C@@H](C(=O)OC(C)(C)C)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MDM2 Q00987 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ B3GNT2 Q9NY97 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL2312588 1.00 POLB (0.48) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL20840367 0.87 POLB (0.45) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL2308145 0.81 POLB (0.57) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL19410170 0.81 POLB (0.57) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL2308151 0.81 POLB (0.57) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL27776802 0.78 POLB (0.50) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL27801894 0.75 POLB (0.59) POLBMEN1KMT2ACYP1A2MDM2
Ethoxycarbonyl Group SCHEMBL27776790 0.75 POLB (0.41) POLBMEN1KMT2ACYP1A2MDM2
SCHEMBL2309056 0.74 POLB (0.48) POLBMEN1KMT2ACYP1A2CHRM2
SCHEMBL2314308 0.74 POLB (0.48) POLBMEN1KMT2ACYP1A2CHRM2

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 11 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
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
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
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
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
EP-2152674-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-02-17 — — EP disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 — — WO disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 — — WO 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 POLB 3716/4885MEN1 1035/4885KMT2A 4203/4885

“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.

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