SCHEMBL2118642

SCHEMBL2118642

O=C(O)c1onc(-c2ccc(Cl)c(F)c2)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.58
KMO O15229 7/20 0.48
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ABL1 P00519 1/20 0.38
RPA1 P27694 1/20 0.38
FFAR1 O14842 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL2118385 0.83 TRPV1 (0.45) TRPV1KMORARARARBRARG
SCHEMBL2117773 0.81 TRPV1 (0.55) TRPV1
SCHEMBL1686339 0.78 TRPV1 (0.56) TRPV1KMORARARARBRARG
SCHEMBL10068661 0.76 TRPV1 (0.71) TRPV1PDE4APDE4BPDE4CCNR2
SCHEMBL2118735 0.76 TRPV1 (0.71) TRPV1PDE4APDE4BPDE4CCNR2
SCHEMBL2118730 0.76 TRPV1 (0.71) TRPV1PDE4APDE4BPDE4CCNR2
SCHEMBL2118737 0.76 TRPV1 (0.71) TRPV1PDE4APDE4BPDE4CCNR2
SCHEMBL2117764 0.75 TRPV1 (1.00) TRPV1
SCHEMBL2120590 0.75 TRPV1 (0.58) TRPV1
SCHEMBL11902319 0.75 PTPN1 (0.60) KMORARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 TRPV1 1/4885KMO 1098/4885RARA 2663/4885

“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.