SCHEMBL717595

SCHEMBL717595

NC(=O)c1cc2ccc(C(F)(F)F)cc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
MAP2K4 P45985 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
MPL P40238 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
P2RY14 Q15391 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL719553 0.82 KDM4E (0.45) KIF11KDM4EMPLKMT2AMEN1
SCHEMBL29619366 0.80 P2RY14 (0.50) KIF11MAP2K4MPLP2RY14CA12
SCHEMBL16008410 0.77 KDM4E (0.47) KDM4EKMT2AMEN1PARP1HTT
SCHEMBL30314640 0.77 HRH4 (0.58) KIF11MAP2K4KDM4ENFKB1P2RY14
SCHEMBL26017918 0.75 KDM4E (0.44) KIF11KDM4EJUNNFKB1NFKB2
SCHEMBL29751000 0.74 LOXL2 (0.54) KDM4EKMT2AMEN1PARP1ALDH1A1
SCHEMBL175459 0.74 LOXL2 (0.54) KDM4EKMT2AMEN1PARP1ALDH1A1
SCHEMBL720288 0.71 KIF11 (0.45) KIF11MAP2K4ATMKMT2AMEN1
SCHEMBL28922736 0.71 TNKS (0.52) KIF11KDM4EKMT2AMEN1PARP1
SCHEMBL28858007 0.70 P2RY14 (0.49) KIF11MAP2K4KDM4ENFKB1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 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 KIF11 3846/4885MAP2K4 3111/4885KDM4E 459/4885

“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.