SCHEMBL3700819

SCHEMBL3700819

COC(=O)CC(C)n1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GCK P35557 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ RNASEH1 O60930 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ KIF15 Q9NS87 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44

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
SCHEMBL3649265 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL3645127 0.85 KMT2A (0.48) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL31160896 0.80 KMT2A (0.54) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL31160823 0.80 KMT2A (0.54) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL31160951 0.77 GCK (0.49) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL3312291 0.76 CYP1A2 (0.61) ALDH1A1MEN1KMT2ACYP1A2ADORA3
SCHEMBL32680072 0.76 CYP1A2 (0.61) ALDH1A1MEN1KMT2ACYP1A2ADORA3
SCHEMBL2600725 0.76 ALDH1A1 (0.73) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL25335125 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1GCKMEN1KMT2A
SCHEMBL31160981 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1GCKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 2108/4885L3MBTL1 4042/4885GCK 996/4885

“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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