SCHEMBL4250158

SCHEMBL4250158

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
KCNQ3 O43525 2/20 0.60
KCNQ2 O43526 2/20 0.60
KCNE1 P15382 1/20 0.60
KCNQ1 P51787 1/20 0.60
MAOB P27338 3/20 0.57
RAB9A P51151 3/20 0.57
MAOA P21397 1/20 0.54
GRM4 Q14833 2/20 0.54
HTR2A P28223 1/20 0.54
BRAF P15056 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL4248664 0.82 MAPT (0.64) MAPTLMNAGAAMAOBBRAF
SCHEMBL3644605 0.79 RXFP1 (0.65) MAPTLMNAGAARAB9ASMN1; SMN2
SCHEMBL19319196 0.78 MAOB (0.55) MAPTLMNAGAAKCNQ3KCNQ2
SCHEMBL17413359 0.78 KCNQ3 (0.60) MAPTLMNAKCNQ3KCNQ2KCNE1
SCHEMBL5275946 0.78 KCNQ3 (0.64) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL28806101 0.77 BRAF (0.59) MAPTLMNAGAAKCNQ3KCNQ2
SCHEMBL4251258 0.77 HDAC4 (0.59) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21185086 0.76 MAPT (0.53) MAPTLMNAGAARAB9AGRM4
SCHEMBL4249329 0.76 RAB9A (0.71) MAPTLMNAGAAMAOBRAB9A
SCHEMBL21146242 0.76 RAB9A (0.59) MAPTLMNAGAAKCNQ3KCNQ2

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 759/4885LMNA 2198/4885GAA 374/4885

“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.