SCHEMBL20720

SCHEMBL20720

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORC P51449 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE6D O43924 1/20 0.37
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 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
SCHEMBL21576 0.86 THRB (0.45) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20558 0.81 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL19871 0.80 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL22194 0.78 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL23433 0.78 DHODH (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL22585 0.78 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20666 0.77 THRB (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL22920 0.77 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL21293 0.77 THRB (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL21292 0.77 THRB (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED 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 (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.