SCHEMBL3645995

SCHEMBL3645995

O=C(Nc1cccc(Cl)c1)c1ccc(F)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.70
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GRM4 Q14833 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.56
KCNE1 P15382 1/20 0.55
KCNQ1 P51787 1/20 0.55
KCNQ5 Q9NR82 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54

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
SCHEMBL3096642 0.83 PTGS1 (0.60) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3096639 0.82 KCNQ3 (0.52) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL4257363 0.82 NPC1 (0.65) NPC1RAB9AKCNQ3KCNQ2MEN1
SCHEMBL5934256 0.81 P4HTM (0.60) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9566797 0.81 P4HTM (0.67) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL4253868 0.81 P4HTM (0.67) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL2055269 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3643298 0.80 P4HTM (0.65) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3639325 0.79 P4HTM (0.64) P4HTMNPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL4255341 0.79 NPC1 (0.81) P4HTMNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765425-A Use of benzamide derivatives for the treatment of CNS disorders HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP 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
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
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

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 P4HTM 2004/4885NPC1 869/4885RAB9A 733/4885

“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.