SCHEMBL2311046

SCHEMBL2311046

CCOC(=O)CCn1c(=O)[nH]c2cccc(C)c21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12431694 0.88 DAO (0.51) DAOMEN1KMT2AL3MBTL1TSHR
SCHEMBL8106312 0.88 ALDH1A1 (0.44) DAOMEN1KMT2ATSHRLMNA
SCHEMBL13129781 0.82 KMT2A (0.57) MEN1KMT2ATDP1TSHRLMNA
SCHEMBL3754859 0.81 HSD17B10 (0.47) TSHRMAPTGAAHSD17B10KDM4E
SCHEMBL3748048 0.81 HSD17B10 (0.47) TSHRMAPTGAAHSD17B10KDM4E
SCHEMBL7648358 0.80 KDM4E (0.67) KMT2AMAPTGAAHSD17B10KDM4E
SCHEMBL3722289 0.78 HSD17B10 (0.45) TSHRLMNAMAPTGAAHSD17B10
SCHEMBL14325098 0.75 DAO (0.48) DAOMEN1KMT2AL3MBTL1LMNA
SCHEMBL10830938 0.74 TNF (0.58) MEN1KMT2ATDP1TSHRLMNA
SCHEMBL739564 0.74 DAO (0.53) DAOMEN1KMT2AKDM4EALDH1A1

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 DAO 1833/4885MEN1 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.