SCHEMBL4280073

SCHEMBL4280073

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(O)cc1CO

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.64
GRIK1 P39086 7/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KDR P35968 1/20 0.57
NTRK1 P04629 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
BAZ1A Q9NRL2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL6370948 0.90 TRPV1 (0.64) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL1463622 0.85 TRPV1 (0.70) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL26697304 0.82 KDR (0.74) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL3676521 0.82 TRPV1 (0.67) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL1463509 0.82 GRIK1 (0.77) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL1463407 0.82 NTRK1 (0.77) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL6376812 0.80 KMT2A (0.79) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL6371123 0.80 TRPV1 (0.67) TRPV1GRIK1KMT2AMEN1MAPT
SCHEMBL5597699 0.80 KMT2A (0.90) GRIK1KMT2AMEN1MAPTHTT
SCHEMBL30101230 0.80 KMT2A (0.90) GRIK1KMT2AMEN1MAPTHTT

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 TRPV1 918/4885GRIK1 4183/4885KMT2A 219/4885

“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.