SCHEMBL4258402

SCHEMBL4258402

COc1cc(NC(=O)c2cccc(C)c2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 10/20 0.64
KCNK9 Q9NPC2 8/20 0.64
KCNH2 Q12809 1/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAOB P27338 1/20 0.60
GRM4 Q14833 2/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.58
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CSF1R P07333 1/20 0.57

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
SCHEMBL14301092 0.90 SMN1; SMN2 (0.75) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL14363190 0.88 KCNK3 (0.68) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL3644692 0.85 KCNK3 (0.71) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL20083957 0.84 KCNK3 (0.64) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL12205437 0.84 KCNK3 (0.67) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL19156955 0.81 KCNK3 (0.66) KCNK3KCNK9KCNH2KDM4ENPC1
SCHEMBL4248100 0.81 KCNK3 (0.69) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL2493233 0.80 KCNK3 (0.68) KCNK3KCNK9KCNH2NPC1RAB9A
SCHEMBL4248125 0.79 KCNK3 (0.82) KCNK3KCNK9KCNH2MAPTKDM4E
SCHEMBL12212837 0.79 KCNK3 (0.62) KCNK3KCNK9KCNH2MAPTKDM4E

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
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
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 KCNK3 1019/4885KCNK9 1229/4885KCNH2 302/4885

“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.