SCHEMBL4250041

SCHEMBL4250041

COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.80
▸ RXFP1 Q9HBX9 1/20 0.69
▸ KMT2A Q03164 6/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ LMNA P02545 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ MAPT P10636 1/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ NLRP3 Q96P20 1/20 0.64
▸ RECQL P46063 1/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ KCNK3 O14649 1/20 0.61
▸ KCNK9 Q9NPC2 1/20 0.61
▸ TP53 P04637 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ PKM P14618 1/20 0.60

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
SCHEMBL8086421 0.87 ALDH1A1 (0.64) ALDH1A1RXFP1KMT2AMEN1LMNA
SCHEMBL4254177 0.86 RXFP1 (0.74) ALDH1A1RXFP1KMT2AMEN1LMNA
SCHEMBL27837885 0.85 RXFP1 (0.72) ALDH1A1RXFP1KMT2AMEN1HTT
SCHEMBL27855678 0.84 NPC1 (0.73) ALDH1A1RXFP1KMT2AMEN1HTT
SCHEMBL4252174 0.84 RXFP1 (0.71) ALDH1A1RXFP1KMT2AMEN1LMNA
SCHEMBL4251968 0.83 RXFP1 (0.94) ALDH1A1RXFP1KMT2AMEN1HTT
SCHEMBL30862297 0.83 RXFP1 (0.94) ALDH1A1RXFP1KMT2AMEN1HTT
SCHEMBL9920148 0.82 MEN1 (0.67) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL30926533 0.82 MEN1 (0.65) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL27179466 0.82 MEN1 (0.65) ALDH1A1KMT2AMEN1LMNAHTT

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 3 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
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 ALDH1A1 204/4885RXFP1 170/4885KMT2A 632/4885

“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.

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