SCHEMBL4253298

SCHEMBL4253298

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2cc(F)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
CLK1 P49759 7/20 0.43
CLK2 P49760 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
POLB P06746 1/20 0.39
HDAC2 Q92769 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL447565 0.91 HDAC1 (0.49) HDAC1CLK1CLK2RAB9ANPC1
SCHEMBL4249835 0.88 CLK1 (0.58) HDAC1CLK1CLK2NPC1DYRK1A
SCHEMBL4255195 0.88 NPC1 (0.51) HDAC1CLK1RAB9ANPC1ALDH1A1
SCHEMBL4252262 0.87 HDAC1 (0.52) HDAC1CLK1RAB9ANPC1MEN1
SCHEMBL4252178 0.85 NPC1 (0.47) HDAC1CLK1RAB9ANPC1ALDH1A1
SCHEMBL4251113 0.84 RAB9A (0.57) HDAC1CLK1RAB9AMEN1KMT2A
SCHEMBL4249825 0.82 HDAC1 (0.48) HDAC1CLK1RAB9ANPC1ALDH1A1
SCHEMBL4257504 0.79 HDAC1 (0.47) HDAC1CLK1RAB9ANPC1POLB
SCHEMBL4253856 0.79 MEN1 (0.50) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL445756 0.78 CLK1 (0.61) HDAC1CLK1CLK2NPC1DYRK1A

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 HDAC1 1/4885CLK1 3179/4885CLK2 2178/4885

“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.