SCHEMBL20352

SCHEMBL20352

C/C=C/c1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.46
EIF4A1 P60842 1/20 0.38
PARP1 P09874 1/20 0.36
SORT1 Q99523 1/20 0.36
PTGFR P43088 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DYRK1A Q13627 1/20 0.35
PFKFB3 Q16875 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK1 P28482 1/20 0.34
MAP2K4 P45985 1/20 0.34
MAPK6 Q16659 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL20353 1.00 DHODH (0.46) DHODHEIF4A1PARP1SORT1PTGFR
SCHEMBL23649 0.85 DHODH (0.46) DHODHEIF4A1PARP1SORT1PTGFR
SCHEMBL21293 0.85 THRB (0.41) MEN1KMT2A
SCHEMBL21292 0.85 THRB (0.41) MEN1KMT2A
SCHEMBL20784 0.81 DHODH (0.51) DHODHEIF4A1SORT1PTGFRDYRK1A
Hydrochloric Acid SCHEMBL22807 0.79 DHODH (0.49) DHODHEIF4A1SORT1PTGFRMAPK1
SCHEMBL20614 0.78 DHODH (0.48) DHODHEIF4A1SORT1PTGFR
SCHEMBL21157 0.77 CCR1 (0.42) DHODHMEN1KMT2A
SCHEMBL21158 0.77 CCR1 (0.42) DHODHMEN1KMT2A
SCHEMBL21973 0.76 DHODH (0.46) DHODHEIF4A1SORT1PTGFRMCHR1

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
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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 (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 3400/4885PARP1 1388/4885

“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.