SCHEMBL15945346

SCHEMBL15945346

CNC(=O)c1cc2ccccc2nc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
MTNR1A P48039 1/20 0.47
HSD17B10 Q99714 1/20 0.46
PLK1 P53350 2/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
BTK Q06187 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL15563826 0.87 ALDH1A1 (0.52) SMN1; SMN2MAPTRAB9APPARDPPARA
SCHEMBL6603045 0.84 KDM4E (0.51) SMN1; SMN2MAPTRAB9APPARDPPARA
SCHEMBL15563505 0.84 MAPT (0.50) SMN1; SMN2MAPTRAB9AHSD17B10PPARD
SCHEMBL15945345 0.84 MAPT (0.55) SMN1; SMN2MAPTRAB9AHSD17B10KDM4E
SCHEMBL6608984 0.84 HTT (0.58) SMN1; SMN2MAPTHTT
SCHEMBL11218527 0.83 MAPT (0.47) SMN1; SMN2MAPTRAB9AHSD17B10PPARD
SCHEMBL3715949 0.83 KDM4E (0.56) SMN1; SMN2MAPTRAB9AHSD17B10PPARD
SCHEMBL22263501 0.83 PPARD (0.47) SMN1; SMN2MAPTRAB9APPARDPPARA
SCHEMBL31423348 0.83 KDM4E (0.56) SMN1; SMN2MAPTRAB9AHSD17B10PPARD
SCHEMBL4432713 0.81 IKBKB (0.61) SMN1; SMN2MAPTRAB9APPARDPPARA

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
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-9139529-B2 Substituted quinoxalines as sodium channel modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-14 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 (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-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A SMN1; SMN2 900/4885MAPT 2538/4885RAB9A 1156/4885
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A SMN1; SMN2 900/4885MAPT 2538/4885RAB9A 1156/4885

“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.