SCHEMBL4249355

SCHEMBL4249355

COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
HSD17B10 Q99714 1/20 0.80
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NPC1 O15118 1/20 0.71
GAA P10253 1/20 0.71
RAB9A P51151 1/20 0.71
CNR1 P21554 1/20 0.69
SIRT2 Q8IXJ6 1/20 0.69
MAPT P10636 1/20 0.69
KDM4E B2RXH2 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
ATM Q13315 1/20 0.67

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
SCHEMBL1000669 0.99 MEN1 (0.82) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4249871 0.99 MEN1 (0.82) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4251076 0.98 KMT2A (0.77) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3646036 0.90 KMT2A (0.66) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1000409 0.89 KMT2A (1.00) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1095479 0.89 KMT2A (1.00) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3645073 0.85 KMT2A (0.60) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4248576 0.85 KMT2A (0.59) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15276769 0.85 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL15825756 0.84 L3MBTL1 (0.89) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1

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 632/4885MEN1 1233/4885HSD17B10 2536/4885

“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.