SCHEMBL4422188

SCHEMBL4422188

O=C(Nc1cccc2cnccc12)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
BLM P54132 1/20 0.66
TRPV1 Q8NER1 7/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CYP2C9 P11712 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.56
STAT3 P40763 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
NAMPT P43490 1/20 0.56
HDAC6 Q9UBN7 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 0.92 KMT2A (0.76) KMT2AMEN1MAPK1HTTBLM
SCHEMBL4422892 0.90 NPC1 (0.58) KMT2AMEN1MAPK1HTTBLM
SCHEMBL4424267 0.88 TRPV1 (0.60) KMT2AMEN1MAPK1HTTBLM
SCHEMBL3210996 0.87 TRPV1 (0.53) KMT2AMEN1MAPK1HTTBLM
SCHEMBL4433476 0.85 TRPV1 (0.65) KMT2AMEN1MAPK1HTTBLM
SCHEMBL13762081 0.83 TRPV1 (0.68) KMT2AMEN1MAPK1HTTBLM
SCHEMBL13544756 0.83 TRPV1 (0.74) KMT2AMEN1MAPK1HTTBLM
SCHEMBL11729390 0.82 KMT2A (0.72) KMT2AMEN1MAPK1HTTBLM
SCHEMBL26885232 0.81 NPC1 (0.81) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL13763336 0.81 TRPV1 (0.60) KMT2AMEN1MAPK1HTTBLM

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 9 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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
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
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 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 KMT2A 3992/4885MEN1 3527/4885MAPK1 2220/4885

“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.