SCHEMBL1294732

SCHEMBL1294732

CCOC(=O)C[C@H](c1ccccc1)n1c(=O)[nH]c2cnc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP1 O94782 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ GABRA1 P14867 4/20 0.37
▸ GABRB2 P47870 4/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA4 P48169 2/20 0.37

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
SCHEMBL1294736 1.00 KDM4E (0.42) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294720 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1295168 0.79 KDM4E (0.44) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294811 0.79 KDM4E (0.44) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1295165 0.79 KDM4E (0.44) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294810 0.79 KDM4E (0.44) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294710 0.77 USP1 (0.46) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294706 0.77 USP1 (0.46) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL12104664 0.76 KDM4E (0.47) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL1294511 0.75 KDM4E (0.42) KDM4EALDH1A1HTTLMNAMAPT

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-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 — — US disclosed
US-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 — — US disclosed
US-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 — — US disclosed
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 — — EP disclosed
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 — — EP disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
EP-2364313-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-09-14 — — EP disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 — — WO disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 — — 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-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 KDM4E 763/4885ALDH1A1 628/4885HTT 4167/4885

“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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