SCHEMBL6038107

SCHEMBL6038107

Nc1ccc(C#CCNC(=O)COCc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PARP10 Q53GL7 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL5279338 0.90 GAA (0.41) MAOBGAALMNASMN1; SMN2FFAR1
SCHEMBL6038088 0.87 FFAR1 (0.42) MAOBGAALMNASMN1; SMN2FFAR1
SCHEMBL6037903 0.86 CA1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL6037981 0.85 ACACB (0.40) MAOBGAALMNASMN1; SMN2ACACB
SCHEMBL5276948 0.85 MMP1 (0.39) GAALMNASMN1; SMN2FFAR1ACACB
SCHEMBL5431945 0.82 PTPN11 (0.47) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL5278766 0.77 LMNA (0.45) GAALMNASMN1; SMN2ALDH1A1
SCHEMBL6038131 0.77 GLA (0.47) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL5277017 0.77 GAA (0.44) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL26491210 0.77 CA12 (0.36) MAOBSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 750/4885GAA 569/4885LMNA 851/4885

“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.