SCHEMBL21613

SCHEMBL21613

CCCc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
EIF4A1 P60842 1/20 0.44
MCHR1 Q99705 6/20 0.39
PDE10A Q9Y233 1/20 0.38
GSK3B P49841 1/20 0.37
AKR1B1 P15121 1/20 0.37
DPP4 P27487 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 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
SCHEMBL22194 0.87 KDM4E (0.49)
SCHEMBL21973 0.85 DHODH (0.46) DHODHEIF4A1MCHR1AKR1B1DPP4
SCHEMBL24084 0.84 DHODH (0.46) DHODHEIF4A1AKR1B1
SCHEMBL20784 0.81 DHODH (0.51) DHODHEIF4A1
SCHEMBL21960 0.80 MCHR1 (0.39) EIF4A1MCHR1
SCHEMBL23618 0.80 HTT (0.44) MCHR1
SCHEMBL23433 0.80 DHODH (0.46) DHODHEIF4A1PDE10A
SCHEMBL1721616 0.80 DHODH (0.46) DHODHEIF4A1PDE10A
SCHEMBL22222 0.79 HDAC6 (0.42)
Hydrochloric Acid SCHEMBL22807 0.79 DHODH (0.49) DHODHEIF4A1

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 3400/4885MCHR1 3935/4885

“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.