SCHEMBL21973

SCHEMBL21973

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
EIF4A1 P60842 1/20 0.40
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPK6 Q16659 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
AKR1B1 P15121 1/20 0.37
CSNK1D P48730 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MCHR1 Q99705 1/20 0.36
SORT1 Q99523 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PTGFR P43088 1/20 0.36
PPARA Q07869 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
SCHEMBL22585 0.86 KDM4E (0.48) KDM4E
SCHEMBL21613 0.85 DHODH (0.46) DHODHEIF4A1AKR1B1MCHR1DPP4
SCHEMBL24084 0.84 DHODH (0.46) DHODHEIF4A1AKR1B1KDM4ETDP1
SCHEMBL20784 0.81 DHODH (0.51) DHODHEIF4A1MAPK1MAP2K4MAPK6
SCHEMBL30795444 0.80 HTT (0.44) MAPK1KDM4E
SCHEMBL21885 0.80 HTT (0.44) MAPK1KDM4E
Hydrochloric Acid SCHEMBL22807 0.79 DHODH (0.49) DHODHEIF4A1MAPK1KDM4ESORT1
SCHEMBL21850 0.78 MLYCD (0.42) DHODHKDM4ETDP1
SCHEMBL30794619 0.78 MLYCD (0.42) DHODHKDM4ETDP1
SCHEMBL20614 0.78 DHODH (0.48) DHODHEIF4A1KDM4ETDP1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
US-20120053204-A1 Substituted quinoline-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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 3082/4885EIF4A1 3400/4885MAPK1 2205/4885

“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.