SCHEMBL4248005

SCHEMBL4248005

COc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2C)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 1/20 0.56
RXFP1 Q9HBX9 2/20 0.56
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NLRP3 Q96P20 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52

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
SCHEMBL3639310 0.85 ALDH1A1 (0.75) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4253051 0.83 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4254177 0.81 RXFP1 (0.74) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4436642 0.80 KCNK3 (0.77) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14372484 0.80 CA1 (0.62)
SCHEMBL4909326 0.77 STAT1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9848853 0.77 MAOB (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15256305 0.77 ALDH1A1 (0.63) ALDH1A1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL4250045 0.76 RAB9A (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11648261 0.76 NPC1 (0.68) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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 1 patent. 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

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 204/4885RAB9A 733/4885NPC1 869/4885

“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.