SCHEMBL20784

SCHEMBL20784

Cc1c(C(=O)O)c(O)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.51
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 2/20 0.40
MAPK6 Q16659 2/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
SORT1 Q99523 1/20 0.40
SLC6A2 P23975 1/20 0.39
P2RY14 Q15391 1/20 0.39
EIF4A1 P60842 1/20 0.39
DYRK1A Q13627 1/20 0.39
PTGFR P43088 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38

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
SCHEMBL27920969 0.88 DHODH (0.42) DHODHKDM4EMAP2K4DYRK1A
Hydrochloric Acid SCHEMBL22807 0.84 DHODH (0.49) DHODHKDM4EMAPK1SORT1EIF4A1
SCHEMBL20558 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20614 0.83 DHODH (0.48) DHODHKDM4ESORT1EIF4A1PTGFR
SCHEMBL21973 0.81 DHODH (0.46) DHODHKDM4EMAPK1MAP2K4MAPK6
SCHEMBL21613 0.81 DHODH (0.46) DHODHEIF4A1
SCHEMBL20353 0.81 DHODH (0.46) DHODHMAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL23649 0.81 DHODH (0.46) DHODHKDM4ESORT1EIF4A1DYRK1A
SCHEMBL20352 0.81 DHODH (0.46) DHODHMAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL7588252 0.81 DHODH (0.48) DHODHKDM4ESORT1SLC6A2P2RY14

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
CN-103068804-B Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2015-08-19 CN disclosed
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 US disclosed
CN-103068804-A Substituted 2-oxy-quinoline-3-carboxamides as kcnq2/3 modulators GRUENENTHAL GMBH 2013-04-24 CN disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal 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 (3 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885KDM4E 505/4885MAPK1 1945/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885KDM4E 505/4885MAPK1 1945/4885
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 3509/4885KDM4E 489/4885MAPK1 2474/4885

“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.