SCHEMBL3683080

SCHEMBL3683080

Cc1cccc2[nH]cc(C(C)n3c(=O)n(C(C)C(=O)O)c(=O)c4ccccc43)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 7/20 0.35
▸ ITGB2 P05107 2/20 0.35
▸ ICAM1 P05362 2/20 0.35
▸ ITGAL P20701 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP5 P45974 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33

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
SCHEMBL3683076 1.00 CMA1 (0.35) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3695212 1.00 CMA1 (0.35) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3679633 0.89 CMA1 (0.46) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3686145 0.89 NPC1 (0.34) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL3688102 0.89 NPC1 (0.34) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL3683769 0.89 CMA1 (0.46) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3686142 0.89 NPC1 (0.34) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL3685767 0.89 POLB (0.42) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3688934 0.89 POLB (0.42) CMA1ITGB2ICAM1ITGALKDM4E
SCHEMBL3688507 0.89 POLB (0.42) CMA1ITGB2ICAM1ITGALKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP claimed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP claimed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — WO claimed
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 — — US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 — — US disclosed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — 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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 CMA1 1/4885ITGB2 4414/4885ICAM1 3391/4885

“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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