SCHEMBL4425249

SCHEMBL4425249

O=C(Nc1ccc2cccnc2c1)c1ccc(N2CCCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
MCHR1 Q99705 3/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
MCL1 Q07820 1/20 0.47
PABPC1 P11940 1/20 0.47
HTR2C P28335 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4426962 0.88 TRPV1 (0.57) TRPV1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL13863916 0.86 KMT2A (0.65) TRPV1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL846493 0.81 NPC1 (0.61) TRPV1KCNQ3KCNQ2SMN1; SMN2NPC1
SCHEMBL846151 0.81 NPC1 (0.61) TRPV1KCNQ3KCNQ2SMN1; SMN2NPC1
SCHEMBL846349 0.81 NPC1 (0.61) TRPV1KCNQ3KCNQ2SMN1; SMN2NPC1
SCHEMBL789964 0.80 SMN1; SMN2 (0.61) MEN1KMT2AKCNQ3KCNQ2MCHR1
SCHEMBL27696834 0.79 MCHR1 (0.60) TRPV1KMT2AKCNQ3KCNQ2MCHR1
SCHEMBL13998573 0.78 TRPV1 (0.69) TRPV1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL790329 0.78 LMNA (0.59) MEN1KMT2AKCNQ3KCNQ2SMN1; SMN2
SCHEMBL4426813 0.78 TRPV1 (0.69) TRPV1MEN1KMT2AKCNQ3KCNQ2

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 8 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
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 1/4885MEN1 3527/4885KMT2A 3992/4885

“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.