SCHEMBL20412

SCHEMBL20412

CCOC(=O)c1c(OCC)nc2cc(C(F)(F)F)ccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PDE6D O43924 1/20 0.41
PDE5A O76074 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL21576 0.90 THRB (0.45) THRBMAOBMAPTKDM4EMEN1
SCHEMBL21660 0.87 MAPT (0.47) THRBMAOBMAPTKDM4EMEN1
SCHEMBL11372216 0.86 RORC (0.50) THRBMAOBMAPTKDM4EMEN1
SCHEMBL3111516 0.82 ALOX5 (0.43) THRBMAOBMAPTKDM4EMEN1
SCHEMBL23433 0.81 DHODH (0.46) THRBMAOBMAPTKDM4EALDH1A1
SCHEMBL20558 0.80 KDM4E (0.47) THRBMAOBMAPTKDM4EMEN1
SCHEMBL11136413 0.79 SMN1; SMN2 (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL430575 0.78 THRB (0.61) THRBMAOBMAPTKDM4EMEN1
SCHEMBL21147 0.77 MLYCD (0.42) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL19871 0.77 KDM4E (0.46) THRBMAOBMAPTKDM4EMEN1

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 THRB 1100/4885MAOB 1518/4885MAPT 3171/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 THRB 1100/4885MAOB 1518/4885MAPT 3171/4885

“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.