SCHEMBL4254030

SCHEMBL4254030

COc1ccc(/C=C/C(=O)NCCOc2ccc(C(=S)NO)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPT P10636 4/20 0.66
GAA P10253 1/20 0.64
RAB9A P51151 2/20 0.57
CYP3A4 P08684 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL4252562 0.97 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4253319 0.91 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4253872 0.90 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4250776 0.90 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL443025 0.88 SMN1; SMN2 (0.74) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4253893 0.88 SMN1; SMN2 (0.74) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4258261 0.88 KMT2A (0.55) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL445225 0.85 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL4255664 0.85 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMAPTGAARAB9A
SCHEMBL445226 0.85 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMAPTGAARAB9A

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 94/4885MAPT 2673/4885

“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.