SCHEMBL3686145

SCHEMBL3686145

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ GPR139 Q6DWJ6 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KCNA5 P22460 1/20 0.32

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
SCHEMBL3686142 1.00 NPC1 (0.34) NPC1ALDH1A1KMT2AL3MBTL1NR4A2
SCHEMBL3688102 1.00 NPC1 (0.34) NPC1ALDH1A1KMT2AL3MBTL1NR4A2
SCHEMBL3683080 0.89 CMA1 (0.35) NPC1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3683076 0.89 CMA1 (0.35) NPC1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3695212 0.89 CMA1 (0.35) NPC1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3684612 0.89 L3MBTL1 (0.43) KMT2AL3MBTL1MAPTTP53
SCHEMBL3686010 0.89 L3MBTL1 (0.43) KMT2AL3MBTL1MAPTTP53
SCHEMBL3685602 0.89 CMA1 (0.39) NPC1ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL3684609 0.89 L3MBTL1 (0.43) KMT2AL3MBTL1MAPTTP53
SCHEMBL3694201 0.88 CMA1 (0.38) KMT2AL3MBTL1GPR139

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 NPC1 224/4885ALDH1A1 2108/4885KMT2A 3658/4885

“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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