SCHEMBL3686184

SCHEMBL3686184

Cc1cccc2[nH]cc(C(C)n3c(=O)n(C4(CC(=O)O)CCOCC4)c(=O)c4ccccc43)c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ CMA1 P23946 2/20 0.32
▸ NPY5R Q15761 2/20 0.31
▸ PKM P14618 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALKBH5 Q6P6C2 1/20 0.30
▸ FTO Q9C0B1 1/20 0.30

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
SCHEMBL3684589 0.92 CMA1 (0.33) ACACBACACACMA1
SCHEMBL2314667 0.84 CTSG (0.32) ACACBACACACMA1ALKBH5FTO
SCHEMBL2318315 0.83 CTSG (0.32) ACACBACACACMA1ALKBH5FTO
SCHEMBL3686129 0.81 NPC1 (0.31) ACACACMA1
SCHEMBL3687513 0.78 CMA1 (0.38) CMA1PKM
SCHEMBL3699071 0.77 CMA1 (0.45) CMA1ALDH1A1
SCHEMBL3699074 0.77 CMA1 (0.45) CMA1ALDH1A1
SCHEMBL2315759 0.77 CNR1 (0.34) CMA1ALKBH5FTO
SCHEMBL3701617 0.77 GAA (0.42) ALDH1A1
SCHEMBL3695212 0.77 CMA1 (0.35) CMA1PKMALDH1A1L3MBTL1

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 ACACB 161/4885ACACA 208/4885CMA1 1/4885

“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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