SCHEMBL15577463

SCHEMBL15577463

O=c1[nH]c(-c2ccc(F)cc2)ncc1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.69
ERCC1 P07992 2/20 0.53
ERCC4 Q92889 2/20 0.53
TNKS O95271 4/20 0.52
TNKS2 Q9H2K2 4/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 3/20 0.46
DAO P14920 3/20 0.42
SERPINE1 P05121 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
DDO Q99489 1/20 0.40

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
SCHEMBL8383701 0.83 COMT (0.65) COMTTNKSTNKS2PARP1PARP2
SCHEMBL6886838 0.82 COMT (0.68) COMTERCC1ERCC4TNKSTNKS2
SCHEMBL2433653 0.82 COMT (1.00) COMTTNKSTNKS2PARP1PARP2
SCHEMBL7011530 0.79 TNKS2 (0.52) COMTTNKSTNKS2PARP1PARP2
SCHEMBL15577542 0.79 COMT (0.60) COMTPARP1DAORECQL
SCHEMBL8384768 0.79 COMT (0.60) COMTTNKS2PARP1RECQL
SCHEMBL6890843 0.79 COMT (0.56) COMTERCC1ERCC4DAOCYP2C19
SCHEMBL15578915 0.78 COMT (0.58) COMTTNKSTNKS2PARP1DAO
SCHEMBL6889931 0.76 COMT (0.56) COMTDAOMEN1KMT2A
SCHEMBL15577468 0.76 RECQL (0.72) COMTTNKSTNKS2PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 COMT 1850/4885ERCC1 1598/4885ERCC4 261/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 COMT 1705/4885ERCC1 1807/4885ERCC4 283/4885

“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.