SCHEMBL5285905

SCHEMBL5285905

O=C(COCc1ccc(F)cc1)NCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL5277128 0.97 LMNA (0.47) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5280994 0.97 LMNA (0.44) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6038117 0.95 MAPT (0.49) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5276612 0.95 MAPT (0.50) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL5276893 0.95 LMNA (0.49) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6038152 0.90 MAPT (0.49) LMNASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5280105 0.86 LMNA (0.45) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5280112 0.86 LMNA (0.45) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5281239 0.85 POLB (0.43) LMNASMN1; SMN2KMT2AMEN1POLB
SCHEMBL5280431 0.84 LMNA (0.48) LMNASMN1; SMN2KMT2AMEN1ALDH1A1

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 851/4885SMN1; SMN2 3733/4885KMT2A 30/4885

“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.