SCHEMBL2312445

SCHEMBL2312445

CC(C)(C)OC(=O)C(C)(C)Nc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.40
HDAC3 O15379 7/20 0.40
HDAC2 Q92769 7/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NCOR2 Q9Y618 2/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL8114942 0.82 POLB (0.38) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13166631 0.80 HSD17B10 (0.39) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11659911 0.80 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL211033 0.77 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL29353000 0.77 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2312212 0.76 NPSR1 (0.50) MAPK1ALDH1A1POLB
SCHEMBL1586390 0.74 GAA (0.51) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5549639 0.73 PTPRC (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL38664167 0.73 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL27456880 0.73 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC4HDAC7

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
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
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 HDAC1 305/4885HDAC3 750/4885HDAC2 226/4885

“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.