SCHEMBL2312151

SCHEMBL2312151

CCC[C@@H](CC(=O)OCC)Nc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 2/20 0.41
HDAC4 P56524 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
NLRP3 Q96P20 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL2312159 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2CDC25B
SCHEMBL2315825 0.85 NLRP3 (0.43) ALDH1A1HSD17B10KDM4ESMN1; SMN2HDAC3
SCHEMBL13728211 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ESMN1; SMN2CDC25B
SCHEMBL2314528 0.80 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2314530 0.80 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23805673 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2CDC25BHDAC4
SCHEMBL29922632 0.77 HDAC3 (0.40) ALDH1A1HSD17B10KDM4ESMN1; SMN2HDAC4
SCHEMBL21799890 0.77 HDAC3 (0.40) ALDH1A1HSD17B10KDM4ESMN1; SMN2HDAC4
SCHEMBL2311597 0.77 F10 (0.46) SMN1; SMN2HDAC6NLRP3F2POLB
SCHEMBL2311587 0.77 F10 (0.46) SMN1; SMN2HDAC6NLRP3F2POLB

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 10 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
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 ALDH1A1 2332/4885HSD17B10 1081/4885KDM4E 3615/4885

“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.