SCHEMBL5282703

SCHEMBL5282703

COc1cc(NS(=O)(=O)c2ccc(C#CCNC(=O)COCc3ccc(F)cc3)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 7/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
AR P10275 1/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL5278766 0.90 LMNA (0.45) SMN1; SMN2KDM4EALDH1A1LMNAAR
SCHEMBL5280441 0.88 ALDH1A1 (0.43) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5290150 0.84 CACNA1H (0.41) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5279117 0.84 ALDH1A1 (0.40) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5277041 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5282216 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5282225 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL6038051 0.81 NAMPT (0.49) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5280431 0.81 LMNA (0.48) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL5276948 0.80 MMP1 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 6 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 SMN1; SMN2 3733/4885MAPT 3848/4885KDM4E 67/4885

“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.