SCHEMBL4433477

SCHEMBL4433477

CCOC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPC1 O15118 5/20 0.65
CASP3 P42574 2/20 0.65
SENP8 Q96LD8 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MDM2 Q00987 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 4/20 0.45

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
SCHEMBL4386607 0.85 RAB9A (0.74) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4426818 0.83 RAB9A (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL9647875 0.82 SMN1; SMN2 (0.74) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25866687 0.82 SMN1; SMN2 (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4423346 0.82 RXFP1 (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4434197 0.79 MDM2 (0.67) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL31339958 0.78 RAB9A (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4428869 0.78 TSHR (0.57) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL29678523 0.77 RAB9A (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL29368114 0.77 RAB9A (0.59) RAB9ANPC1CASP3SENP8SENP7

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 784/4885CASP3 4290/4885

“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.