SCHEMBL6038131

SCHEMBL6038131

O=C(COCc1ccc(F)cc1)NCC#Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5276948 0.82 MMP1 (0.39) SMN1; SMN2GAAALDH1A1LMNAMEN1
SCHEMBL5284801 0.82 ALDH1A1 (0.51) GLAHTTSMN1; SMN2GAATP53
SCHEMBL6037903 0.81 CA1 (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL5279338 0.79 GAA (0.41) HTTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL5278766 0.78 LMNA (0.45) SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6038107 0.77 MAOB (0.43) HTTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL5282703 0.76 SMN1; SMN2 (0.45) HTTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6038088 0.76 FFAR1 (0.42) HTTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL5280431 0.76 LMNA (0.48) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL5280441 0.75 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 GLA 372/4885HTT 846/4885SMN1; 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.