SCHEMBL22585

SCHEMBL22585

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RORC P51449 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE6D O43924 1/20 0.39
PDE5A O76074 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39

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 0.88 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL21973 0.86 DHODH (0.46) KDM4E
SCHEMBL22920 0.86 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL20558 0.84 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL19871 0.83 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL21576 0.82 THRB (0.45) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL21292 0.79 THRB (0.41) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL20666 0.79 THRB (0.41) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL21293 0.79 THRB (0.41) KDM4EALDH1A1SMN1; SMN2THRBMAOB
SCHEMBL20720 0.78 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2THRBMAOB

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 KDM4E 810/4885ALDH1A1 3085/4885SMN1; SMN2 1951/4885

“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.