SCHEMBL4250776

SCHEMBL4250776

COc1cccc(/C=C/C(=O)NCCOc2ccc(C(=S)NO)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
KMT2A Q03164 1/20 0.66
RAB9A P51151 1/20 0.60
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
MAOB P27338 1/20 0.51
APP P05067 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL447529 0.90 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL447530 0.90 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4254030 0.90 SMN1; SMN2 (0.71) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4253228 0.89 KMT2A (0.58) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4250923 0.89 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4253893 0.87 SMN1; SMN2 (0.74) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4252562 0.86 SMN1; SMN2 (0.66) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4255664 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4253319 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ARAB9AGAAMAPT
SCHEMBL4253872 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ARAB9AGAAMAPT

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 SMN1; SMN2 3469/4885KMT2A 94/4885RAB9A 3763/4885

“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.