SCHEMBL4435631

SCHEMBL4435631

Cc1nccc2c(NC(=O)c3ccc(-c4ccccc4)cc3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
DHODH Q02127 1/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRM5 P41594 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PABPC1 P11940 2/20 0.48
EIF4H Q15056 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL4028215 0.82 MEN1 (0.46) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL2359677 0.79 KDM4E (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4022010 0.78 KMT2A (0.60) KMT2AMEN1MAPTHPGDRXFP1
SCHEMBL4422188 0.75 KMT2A (0.66) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3201877 0.75 TRPV1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3148472 0.75 NPC1 (0.82) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL26885232 0.74 NPC1 (0.81) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL15290422 0.74 HPGD (0.80) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13047481 0.73 NPC1 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4422892 0.73 NPC1 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 784/4885RAB9A 1477/4885KMT2A 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.