SCHEMBL5280652

SCHEMBL5280652

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
USP5 P45974 1/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL5288293 0.96 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1POLBUSP5
SCHEMBL5278347 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1TP53L3MBTL1
SCHEMBL5285221 0.85 AOC3 (0.51) ALDH1A1POLBTP53LMNA
SCHEMBL5287864 0.83 GPR119 (0.46) ALDH1A1TP53LMNA
SCHEMBL5279824 0.83 FAAH (0.42) KMT2AMEN1
SCHEMBL5278528 0.79 TP53 (0.40) KMT2AMEN1TP53LMNAL3MBTL1
SCHEMBL5282979 0.76 TP53 (0.43) ALDH1A1POLBTP53LMNA
SCHEMBL5280650 0.76 RAB9A (0.45) TP53LMNA
SCHEMBL5275941 0.76 TP53 (0.55) ALDH1A1POLBTP53LMNA
SCHEMBL5286061 0.76 ALDH1A1 (0.55) ALDH1A1POLBTP53LMNA

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 4 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 KMT2A 30/4885MEN1 2348/4885ALDH1A1 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.