SCHEMBL4258261

SCHEMBL4258261

CN(C)c1ccc(/C=C/C(=O)NCCOc2ccc(C(=S)NO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.54
MAOB P27338 2/20 0.53
MAPT P10636 4/20 0.52
HDAC3 O15379 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL445447 0.89 HDAC6 (0.57) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL445448 0.89 HDAC6 (0.57) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL4254030 0.88 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL4253319 0.88 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL4253872 0.87 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL4253893 0.85 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2RAB9AMAOBMAPT
SCHEMBL4252562 0.85 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2RAB9AMAPTHDAC3
SCHEMBL4255664 0.82 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2RAB9AMAPTHDAC3
SCHEMBL4258419 0.82 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2RAB9AMAPTHDAC3
SCHEMBL4253228 0.81 KMT2A (0.58) KMT2ASMN1; SMN2RAB9AMAPTMEN1

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 KMT2A 94/4885SMN1; SMN2 3469/4885RAB9A 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.