SCHEMBL4252152

SCHEMBL4252152

COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.58
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 1/20 0.53
ERAP1 Q9NZ08 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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 0.77 MAPT (0.64) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL3485234 0.75 KDR (0.71) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL4247984 0.75 TAAR1 (0.80) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL5789931 0.74 MAPT (0.74) MEN1KMT2AKDM4EPOLBTP53
SCHEMBL3645668 0.74 TAAR1 (0.79) TAAR1
SCHEMBL3642495 0.74 TAAR1 (0.79) TAAR1
SCHEMBL2771812 0.74 KDM4E (0.65) KDM4EMAPTSMN1; SMN2RAB9AERAP1
SCHEMBL14288429 0.74 CYP1A2 (0.63) MEN1KMT2AKDM4EPOLBTP53
SCHEMBL270810 0.73 NOTUM (0.48) MAPT
SCHEMBL3645506 0.73 TAAR1 (0.77) TP53MAPTTHRBSMN1; 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 MEN1 1233/4885KMT2A 632/4885KDM4E 1438/4885

“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.