SCHEMBL5281070

SCHEMBL5281070

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRB3 P13945 4/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SGMS1 Q86VZ5 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6037953 0.91 TP53 (0.40) MEN1KMT2AALDH1A1SGMS1TP53
SCHEMBL6037957 0.86 TP53 (0.45) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL6038018 0.84 RAB9A (0.48)
SCHEMBL5280368 0.84 RAB9A (0.43) KMT2ATP53LMNAMAPTGAA
SCHEMBL6037944 0.84 LMNA (0.48) KMT2ATP53LMNAMAPTPOLB
SCHEMBL6038023 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6037956 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL5279990 0.83 ROCK2 (0.46) KMT2AALDH1A1LMNAPOLBGAA
SCHEMBL5286061 0.83 ALDH1A1 (0.55) ALDH1A1TP53LMNAMAPTPOLB
SCHEMBL5282375 0.82 AOC3 (0.47) KMT2ATP53LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MEN1 2348/4885KMT2A 30/4885ALDH1A1 781/4885

“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.