SCHEMBL3685482

SCHEMBL3685482

CC(c1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
OPRM1 P35372 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA12 O43570 1/20 0.45
RNASEH1 O60930 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
CA9 Q16790 1/20 0.45
ERCC4 Q92889 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17242498 1.00 ALDH1A1 (0.51) ALDH1A1L3MBTL1ADORA3ADORA2AADORA2B
SCHEMBL17242800 0.86 CA9 (0.55) OPRM1CA12CA9SMN1; SMN2MAPK1
SCHEMBL17242807 0.86 CA9 (0.55) OPRM1CA12CA9SMN1; SMN2MAPK1
SCHEMBL1064229 0.83 MAPK1 (0.48) ALDH1A1L3MBTL1ADORA3ADORA2AADORA2B
SCHEMBL1064228 0.83 MAPK1 (0.48) ALDH1A1L3MBTL1ADORA3ADORA2AADORA2B
SCHEMBL17242513 0.82 FEN1 (0.50) OPRM1CA12FEN1CA9MAPK1
SCHEMBL17242514 0.82 FEN1 (0.50) OPRM1CA12FEN1CA9MAPK1
SCHEMBL17242787 0.82 FEN1 (0.50) OPRM1CA12FEN1CA9MAPK1
SCHEMBL1058359 0.80 KIF11 (0.49) ALDH1A1L3MBTL1ADORA3ADORA2AADORA2B
SCHEMBL7964922 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1ADORA3ADORA2AADORA2B

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
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO disclosed
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 (2 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 4042/4885ADORA3 3240/4885
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 ALDH1A1 819/4885L3MBTL1 4359/4885ADORA3 176/4885

“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.