SCHEMBL3684612

SCHEMBL3684612

CCC(C(=O)OC)n1c(=O)c2ccccc2n(C(C)c2c[nH]c3cccc(C)c23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PTGS2 P35354 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CMA1 P23946 3/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL3686010 1.00 L3MBTL1 (0.43) L3MBTL1PTGS2TP53MAPTKMT2A
SCHEMBL3684609 1.00 L3MBTL1 (0.43) L3MBTL1PTGS2TP53MAPTKMT2A
SCHEMBL3694201 0.93 CMA1 (0.38) L3MBTL1PTGS2KMT2ACMA1
SCHEMBL3685767 0.90 POLB (0.42) L3MBTL1TP53MAPTKMT2ACMA1
SCHEMBL3688934 0.90 POLB (0.42) L3MBTL1TP53MAPTKMT2ACMA1
SCHEMBL3688507 0.90 POLB (0.42) L3MBTL1TP53MAPTKMT2ACMA1
SCHEMBL3686145 0.89 NPC1 (0.34) L3MBTL1TP53MAPTKMT2A
SCHEMBL3688102 0.89 NPC1 (0.34) L3MBTL1TP53MAPTKMT2A
SCHEMBL3686142 0.89 NPC1 (0.34) L3MBTL1TP53MAPTKMT2A
SCHEMBL3685602 0.86 CMA1 (0.39) L3MBTL1KMT2ACMA1PGRAR

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 L3MBTL1 4042/4885PTGS2 1440/4885TP53 2179/4885

“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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