SCHEMBL977029

SCHEMBL977029

COc1cccc(OCC(=O)N2CCc3c(sc(C(N)=O)c3-c3cc(C(C)C)ccc3N)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
GRM1 Q13255 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
P2RX3 P56373 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NR4A1 P22736 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL976172 0.77 MEN1 (0.45) GAAMEN1KMT2ATAAR1ALDH1A1
SCHEMBL978658 0.68 F10 (0.51) MEN1KMT2ATAAR1HDAC1
SCHEMBL978338 0.67 GAA (0.48) GAAMEN1KMT2ATAAR1ALDH1A1
SCHEMBL976814 0.66 F10 (0.54) GAAKMT2AALDH1A1KDM4EHPGD
SCHEMBL977937 0.65 F10 (0.53) GAAMAPTHPGDHDAC1
SCHEMBL791567 0.64 GAA (0.78) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL978009 0.64 F10 (0.51) GAAHPGD
SCHEMBL976841 0.64 F10 (0.51) GAAHPGD
SCHEMBL18737493 0.62 FKBP1A (0.73) ALDH1A1MAPTKDM4EPOLBHPGD
Cyanide SCHEMBL26699229 0.60 GAA (0.69) GAAMEN1KMT2AALDH1A1MAPT

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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 GAA 1551/4885MEN1 3674/4885KMT2A 86/4885

“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.