SCHEMBL4253899

SCHEMBL4253899

O=C(/C=C/c1ccco1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
NSD2 O96028 1/20 0.47
ALPL P05186 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
SCHEMBL442591 0.89 POLB (0.67) POLBALDH1A1MAPTPKMKMT2A
SCHEMBL442592 0.89 POLB (0.67) POLBALDH1A1MAPTPKMKMT2A
SCHEMBL4253893 0.83 SMN1; SMN2 (0.74) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL4258419 0.82 SMN1; SMN2 (0.55) POLBALDH1A1MAPTPKMKMT2A
SCHEMBL4255664 0.80 SMN1; SMN2 (0.69) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL4253872 0.80 SMN1; SMN2 (0.58) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL4250925 0.80 SMN1; SMN2 (0.55) POLBALDH1A1MAPTPKMKMT2A
SCHEMBL4254030 0.79 SMN1; SMN2 (0.71) ALDH1A1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL4253319 0.79 SMN1; SMN2 (0.58) ALDH1A1MAPTKMT2AL3MBTL1RAB9A
SCHEMBL4255201 0.79 KMT2A (0.68) ALDH1A1MAPTPKMKMT2AL3MBTL1

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 POLB 553/4885ALDH1A1 601/4885MAPT 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.