SCHEMBL21576

SCHEMBL21576

CCOC(=O)c1c(OCC)nc2cc(C(F)(F)F)ccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE6D O43924 1/20 0.42
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL20412 0.90 THRB (0.44) THRBMAOBKDM4EALDH1A1HPGD
SCHEMBL23433 0.89 DHODH (0.46) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL20720 0.86 KDM4E (0.41) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL20558 0.86 KDM4E (0.47) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL19871 0.85 KDM4E (0.46) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL22194 0.83 KDM4E (0.49) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL22585 0.82 KDM4E (0.48) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL22920 0.81 KDM4E (0.47) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL20666 0.81 THRB (0.41) THRBMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL21292 0.81 THRB (0.41) THRBMAOBKDM4EALDH1A1SMN1; SMN2

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 1518/4885KDM4E 505/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 THRB 1100/4885MAOB 1518/4885KDM4E 505/4885

“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.