SCHEMBL20614

SCHEMBL20614

COc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.48
MAT2A P31153 2/20 0.43
SORT1 Q99523 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAK O14976 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EIF4A1 P60842 1/20 0.37
PTGFR P43088 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL23433 0.86 DHODH (0.46) DHODHKDM4EALDH1A1HPGDCYP2C19
SCHEMBL20784 0.83 DHODH (0.51) DHODHSORT1KDM4EALDH1A1HPGD
SCHEMBL24084 0.81 DHODH (0.46) DHODHKDM4ETDP1EIF4A1
Hydrochloric Acid SCHEMBL22807 0.81 DHODH (0.49) DHODHSORT1KDM4EALDH1A1CYP2C19
SCHEMBL20906 0.80 MLYCD (0.40) MAT2ASORT1USP2PTGFRRORC
SCHEMBL20754 0.79 KCNQ3 (0.47) KDM4EALDH1A1HPGDCYP2C19
SCHEMBL30824651 0.79 KCNQ3 (0.47) KDM4EALDH1A1HPGDCYP2C19
SCHEMBL21014 0.79 TP53BP1 (0.37) MAT2AKDM4EUSP2HSD17B10PTGFR
SCHEMBL22574 0.79 KCNQ3 (0.56) KDM4EALDH1A1TDP1
SCHEMBL21561 0.78 NAMPT (0.38) MAT2AKDM4EUSP2ALDH1A1HPGD

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
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-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 (2 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885MAT2A 3594/4885SORT1 4835/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885MAT2A 3594/4885SORT1 4835/4885

“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.