SCHEMBL2118459

SCHEMBL2118459

O=C(O)c1onc(-c2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 4/20 0.46
GPBAR1 Q8TDU6 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
MAPK1 P28482 2/20 0.39
MAP2K4 P45985 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK3 Q16644 1/20 0.39
PLAU P00749 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
SRD5A2 P31213 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL2120590 0.84 TRPV1 (0.58) MEN1KMT2ATRPV1GPBAR1STAT3
SCHEMBL2117862 0.79 TRPV1 (0.44) TRPV1HDAC4
SCHEMBL2117857 0.79 TRPV1 (0.44) TRPV1HDAC4
SCHEMBL2117849 0.78 TRPV1 (0.69) TRPV1HDAC4
SCHEMBL1686405 0.77 TRPV1 (0.62) MEN1KMT2ATRPV1
SCHEMBL2119916 0.76 TRPV1 (0.61) TRPV1HDAC4HDAC6
SCHEMBL27971673 0.76 GPBAR1 (0.45) MEN1KMT2ATRPV1GPBAR1NPC1
SCHEMBL2120610 0.73 PTGS1 (0.42) MEN1KMT2ATRPV1GPBAR1NPC1
SCHEMBL1225874 0.71 ESR1 (0.46) MEN1KMT2ANPC1FFAR4
SCHEMBL2117465 0.70 CSGALNACT1 (0.54) MEN1KMT2ARAB9A

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 MEN1 4795/4885KMT2A 2932/4885TRPV1 1/4885

“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.