SCHEMBL5284801

SCHEMBL5284801

O=C(COCc1ccc(F)cc1)NCCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 2/20 0.51
LMNA P02545 4/20 0.49
GAA P10253 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.46
RECQL P46063 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
SCHEMBL6038314 0.83 PPARG (0.58) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL6038131 0.82 GLA (0.47) ALDH1A1SMN1; SMN2GLALMNAGAA
SCHEMBL6037960 0.80 CA1 (0.61) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5288481 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL5325209 0.78 LMNA (0.51) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL6037905 0.77 HDAC1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6037915 0.77 LMNA (0.50) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL5277245 0.76 FFAR1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL5279126 0.76 FFAR1 (0.47) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL6038161 0.76 FFAR1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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 3 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

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 ALDH1A1 781/4885SMN1; SMN2 3733/4885GLA 372/4885

“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.