SCHEMBL4496536

SCHEMBL4496536

Cc1cc(C)nc(NC(=O)N2CCOC(COc3ccccc3C(F)(F)F)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.46
TTR P02766 9/20 0.46
PHGDH O43175 6/20 0.45
TRPV1 Q8NER1 1/20 0.41
PDK1 Q15118 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL4510447 0.97 RBP4 (0.46) RBP4TTRPHGDHTRPV1
SCHEMBL4506372 0.89 TRPV1 (0.43) PHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4495237 0.88 TRPV1 (0.40) PHGDHTRPV1PDK1
SCHEMBL4509367 0.87 MEN1 (0.51) PHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4506318 0.87 PHGDH (0.39) PHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4505237 0.87 TRPV1 (0.39) RBP4TTRPHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4507489 0.86 PHGDH (0.42) PHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4501514 0.86 PDK1 (0.47) PHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4516194 0.85 GRM5 (0.40) RBP4TTRPHGDHTRPV1PDK1
Trifluoroacetic Acid SCHEMBL4516133 0.84 EPHA2 (0.41) RBP4PHGDHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US claimed
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS RBP4 1872/4885TTR 2929/4885PHGDH 1406/4885

“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.