SCHEMBL4247271

SCHEMBL4247271

O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
HTT P42858 2/20 0.77
CASP1 P29466 1/20 0.77
HSD17B10 Q99714 1/20 0.77
SMN1; SMN2 Q16637 5/20 0.70
ALDH1A1 P00352 4/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
ALB P02768 1/20 0.70
CNR1 P21554 1/20 0.68
CNR2 P34972 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
MAPK1 P28482 1/20 0.66
GAA P10253 1/20 0.66
ATM Q13315 1/20 0.64
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL1000605 0.89 ALDH1A1 (0.78) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4250870 0.89 KMT2A (0.81) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL13532201 0.88 KMT2A (1.00) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL26014497 0.87 KMT2A (0.76) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL13532184 0.87 KMT2A (0.82) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL31174712 0.86 KMT2A (0.77) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL15276881 0.86 CNR1 (0.62) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL17479371 0.84 KMT2A (0.77) KMT2ASMN1; SMN2ALBMAPTMEN1
SCHEMBL15613214 0.83 HTT (0.82) KMT2AHTTCASP1HSD17B10SMN1; SMN2
SCHEMBL13532172 0.83 KMT2A (0.76) KMT2AHTTCASP1HSD17B10SMN1; SMN2

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 KMT2A 632/4885HTT 851/4885CASP1 1764/4885

“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.