SCHEMBL6317827

SCHEMBL6317827

NC(=O)c1c(-c2ccccn2)noc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.56
CES1 P23141 1/20 0.48
TLR7 Q9NYK1 1/20 0.46
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS1 P23219 2/20 0.43
EPHX2 P34913 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6315971 0.89 TRPV1 (0.56) TRPV1
SCHEMBL6316069 0.89 GRM1 (0.50) TRPV1CES1NPC1RAB9A
SCHEMBL6316291 0.88 TLR7 (0.50) TRPV1TLR7
SCHEMBL6316034 0.87 ADORA3 (0.50) TRPV1CES1NPC1RAB9ALMNA
SCHEMBL6321792 0.84 F2 (0.43) TRPV1F2F12NPC1RAB9A
SCHEMBL6314799 0.83 SMN1; SMN2 (0.47) NPC1RAB9A
SCHEMBL6314877 0.82 NPC1 (0.42) TRPV1NPC1RAB9APTGS1
SCHEMBL6319264 0.82 NPC1 (0.47) TRPV1CES1NPC1PTGS1
SCHEMBL6317947 0.80 ADORA3 (0.51) F2F12NPC1RAB9AKCNH2
SCHEMBL6316620 0.80 SMN1; SMN2 (0.44) NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TRPV1 4383/4885CES1 3893/4885TLR7 1757/4885

“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.