SCHEMBL4253871

SCHEMBL4253871

CC(C)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.62
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HCAR3 P49019 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP1A2 P05177 1/20 0.51

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
SCHEMBL4253868 0.86 P4HTM (0.67) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4248558 0.83 P4HTM (0.62) P4HTMNPC1RAB9AHCAR3SMN1; SMN2
SCHEMBL4247552 0.82 P4HTM (0.55) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4257380 0.81 P4HTM (0.60) P4HTMNPC1RAB9AHCAR3SMN1; SMN2
SCHEMBL4247187 0.79 P4HTM (0.58) P4HTMHCAR3SMN1; SMN2MEN1KMT2A
SCHEMBL4249317 0.79 HCAR3 (0.59) P4HTMNPC1RAB9AHCAR3SMN1; SMN2
SCHEMBL3645995 0.78 P4HTM (0.70) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3646298 0.78 P4HTM (0.62) P4HTMNPC1RAB9AMEN1KMT2A
SCHEMBL3643298 0.78 P4HTM (0.65) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9566797 0.76 P4HTM (0.67) 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 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 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.