SCHEMBL175459

SCHEMBL175459

NC(=O)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
KDM4E B2RXH2 7/20 0.53
GAA P10253 4/20 0.53
CDC25B P30305 9/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
APAF1 O14727 6/20 0.46
CASP3 P42574 5/20 0.46
SENP8 Q96LD8 5/20 0.46
SENP7 Q9BQF6 5/20 0.46
SENP6 Q9GZR1 4/20 0.46
SAE1 Q9UBE0 4/20 0.46
UBA2 Q9UBT2 4/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 3/20 0.46
RECQL P46063 2/20 0.46
UBE2I P63279 2/20 0.46
GALK1 P51570 1/20 0.46
SMAD3 P84022 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL29751000 1.00 LOXL2 (0.54) LOXL2KDM4EGAACDC25BALDH1A1
SCHEMBL29430150 0.84 HPGD (0.62) LOXL2KDM4EGAACDC25BALDH1A1
SCHEMBL2815600 0.84 HPGD (0.62) LOXL2KDM4EGAACDC25BALDH1A1
SCHEMBL30853483 0.78 KDM4E (0.53) LOXL2KDM4EGAACDC25BALDH1A1
SCHEMBL1872809 0.78 KDM4E (0.53) LOXL2KDM4EGAACDC25BALDH1A1
SCHEMBL16008410 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4002866 0.77 MAP2K1 (0.35) LOXL2KDM4EGAAPARP1
SCHEMBL29362757 0.76 FLT3 (0.71) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL118686 0.76 FLT3 (0.71) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL717595 0.74 KIF11 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434782-B A kind of synthetic method of 4- oxyquinoline ketone derivatives and its application in antitumor research 重庆文理学院 2019-11-05 CN disclosed
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
JP-2013536808-A 2013-09-26 JP disclosed
EP-2611780-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-10 EP disclosed
EP-2611780-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-10 EP disclosed
WO-2012028300-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-08 WO disclosed
WO-2012028300-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 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-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 LOXL2 3892/4885KDM4E 459/4885GAA 2892/4885

“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.