SCHEMBL4248664

SCHEMBL4248664

COc1cc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
TP53 P04637 1/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TAAR1 Q96RJ0 1/20 0.60
S1PR1 P21453 1/20 0.57
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAOB P27338 1/20 0.53
BRAF P15056 2/20 0.51
RAF1 P04049 1/20 0.51
NTRK1 P04629 1/20 0.51
DDR1 Q08345 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
SCHEMBL4250158 0.82 MAPT (0.61) MAPTSMN1; SMN2LMNAGAAMAOB
SCHEMBL4247984 0.82 TAAR1 (0.80) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL3642495 0.81 TAAR1 (0.79) TAAR1S1PR1
SCHEMBL3645668 0.81 TAAR1 (0.79) TAAR1S1PR1
SCHEMBL3639447 0.80 TAAR1 (0.68) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL3645506 0.80 TAAR1 (0.77) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL3643347 0.78 TAAR1 (0.71) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL3645367 0.78 TAAR1 (0.71) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL4252152 0.77 MEN1 (0.58) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL3646844 0.77 TAAR1 (0.79) MAPTTP53THRBSMN1; SMN2TAAR1

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MAPT 759/4885TP53 4869/4885THRB 1333/4885

“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.