SCHEMBL4251985

SCHEMBL4251985

O=C(/C=C/c1cccnc1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 3/20 0.55
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NAMPT P43490 4/20 0.50
PTAFR P25105 1/20 0.48
NCOR2 Q9Y618 3/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
THRB P10828 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
SCHEMBL443200 0.90 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL443201 0.90 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL4253893 0.88 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL4255664 0.85 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL4250923 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2ACYP1A2MAPT
SCHEMBL4253872 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2AHDAC3HDAC6
SCHEMBL4253319 0.82 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2ACYP1A2MAPT
SCHEMBL4254030 0.82 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL4253228 0.82 KMT2A (0.58) SMN1; SMN2RAB9AKMT2ACYP1A2MAPT
SCHEMBL4257478 0.81 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1

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 3469/4885RAB9A 3763/4885KMT2A 94/4885

“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.