SCHEMBL4425985

SCHEMBL4425985

O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.72
NPC1 O15118 9/20 0.72
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.55
MTOR P42345 1/20 0.55
TP53 P04637 3/20 0.54
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
KDR P35968 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HCRTR1 O43613 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12204397 0.84 NPC1 (1.00) RAB9ANPC1KMT2ASMN1; SMN2MTOR
SCHEMBL6257291 0.79 NPC1 (1.00) RAB9ANPC1KMT2ASMN1; SMN2MTOR
SCHEMBL846078 0.77 KDR (0.71) RAB9ANPC1SMN1; SMN2KDRKDM4E
SCHEMBL15931641 0.77 NPC1 (1.00) RAB9ANPC1KMT2ASMN1; SMN2MTOR
SCHEMBL3788722 0.77 SMN1; SMN2 (0.74) RAB9ANPC1KMT2ASMN1; SMN2TP53
SCHEMBL5091480 0.77 NPC1 (0.77) RAB9ANPC1KMT2ASMN1; SMN2MTOR
SCHEMBL3787990 0.77 KMT2A (1.00) RAB9ANPC1KMT2ASMN1; SMN2TP53
SCHEMBL4427441 0.77 NPC1 (0.74) RAB9ANPC1KMT2ASMN1; SMN2MTOR
SCHEMBL4426813 0.75 TRPV1 (0.69) RAB9ANPC1KMT2ASMN1; SMN2KDR
SCHEMBL2306301 0.75 RAB9A (0.76) RAB9ANPC1KMT2ASMN1; SMN2TP53

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 RAB9A 1477/4885NPC1 784/4885KMT2A 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.