SCHEMBL4251978

SCHEMBL4251978

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.71
RAB9A P51151 8/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
HPGD P15428 3/20 0.71
MAPT P10636 3/20 0.71
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
TDP1 Q9NUW8 1/20 0.70
PNLIP P16233 1/20 0.64
GRM4 Q14833 1/20 0.64
LMNA P02545 1/20 0.64
FADS1 O60427 1/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.60
PTPRC P08575 2/20 0.59
TP53 P04637 2/20 0.59
NFKB1 P19838 1/20 0.59
HTT P42858 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59

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
SCHEMBL6811784 0.92 KMT2A (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL27315886 0.87 KMT2A (0.64) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL6819360 0.87 FADS1 (0.71) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL4254011 0.85 RAB9A (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL6811790 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL6816284 0.84 MAPT (0.62) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL4242085 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13878279 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL6815397 0.83 FADS1 (0.66) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10489740 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDMAPT

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 4 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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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 NPC1 869/4885RAB9A 733/4885SMN1; SMN2 155/4885

“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.