SCHEMBL28780

SCHEMBL28780

Cc1c(C(=O)O)c(=O)[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
KIF11 P52732 6/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MPL P40238 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPK1 P28482 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPK6 Q16659 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43

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
SCHEMBL31423140 0.83 KIF11 (0.50) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL29777 0.83 MAPT (0.48) MAPTALDH1A1HPGDKIF11
SCHEMBL31025910 0.82 MAPT (0.55) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27413181 0.76 DAO (0.48) KIF11
SCHEMBL31312240 0.75 MAPT (0.57) MAPTMEN1KMT2AKIF11CA12
SCHEMBL29574 0.75 ROCK2 (0.46) MEN1KMT2A
SCHEMBL1037203 0.74 KDM4E (0.72) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8873312 0.74 MAPT (0.58) MAPTKIF11CA12CA9JUN
SCHEMBL31423315 0.74 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2975736 0.73 KIF11 (0.48) MAPTMEN1KMT2AKIF11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189357-B Substituted 2-oxo-and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2015-11-25 CN disclosed
EP-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
CN-103189357-A Substituted 2-oxo-and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH 2013-07-03 CN disclosed
WO-2012025239-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-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-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 MAPT 3437/4885MEN1 4185/4885KMT2A 217/4885

“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.