SCHEMBL5280112

SCHEMBL5280112

O=C(COCc1ccc(F)cc1)NCCC=Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL5280105 1.00 LMNA (0.45) LMNAMAPTSMN1; SMN2TRPV1KMT2A
SCHEMBL5276893 0.88 LMNA (0.49) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5285905 0.86 LMNA (0.48) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5277128 0.85 LMNA (0.47) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5281114 0.84 HDAC1 (0.52) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5281123 0.84 HDAC1 (0.52) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5280994 0.83 LMNA (0.44) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5276612 0.81 MAPT (0.50) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL6038117 0.81 MAPT (0.49) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5280431 0.81 LMNA (0.48) LMNAMAPTSMN1; SMN2KMT2AMEN1

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 LMNA 851/4885MAPT 3848/4885SMN1; SMN2 3733/4885

“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.