SCHEMBL4433476

SCHEMBL4433476

O=C(Nc1cccc2cnccc12)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.65
CHEK1 O14757 1/20 0.65
PIM1 P11309 1/20 0.65
CDK8 P49336 1/20 0.65
GSK3B P49841 1/20 0.65
CDK7 P50613 1/20 0.65
CDK9 P50750 1/20 0.65
LIMK1 P53667 1/20 0.65
ROCK1 Q13464 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
MEN1 O00255 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
GALK1 P51570 1/20 0.55

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
SCHEMBL17737359 0.87 KMT2A (0.76) TRPV1MEN1MAPK1HTTBLM
SCHEMBL4422188 0.85 KMT2A (0.66) TRPV1MEN1MAPK1HTTBLM
SCHEMBL13544756 0.84 TRPV1 (0.74) TRPV1MEN1MAPK1HTTBLM
SCHEMBL13762081 0.84 TRPV1 (0.68) TRPV1MEN1MAPK1HTTBLM
SCHEMBL11729390 0.83 KMT2A (0.72) TRPV1MEN1MAPK1HTTBLM
SCHEMBL13763336 0.82 TRPV1 (0.60) TRPV1ROCK1MEN1MAPK1HTT
SCHEMBL13763278 0.80 NAMPT (0.59) TRPV1MEN1MAPK1HTTBLM
SCHEMBL7093699 0.80 HTT (0.59) TRPV1MEN1MAPK1HTTBLM
SCHEMBL29099855 0.80 TRPV1 (0.71) TRPV1MEN1MAPK1HTTBLM
SCHEMBL30544193 0.80 TRPV1 (0.71) TRPV1MEN1MAPK1HTTBLM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 TRPV1 1/4885CHEK1 4551/4885PIM1 3014/4885

“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.