SCHEMBL4251979

SCHEMBL4251979

O=C(NCCOc1ccc(C(=S)NO)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.47
HDAC3 O15379 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC4 P56524 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL445757 0.90 ALDH1A1 (0.52) PDE10AHDAC3HDAC1HDAC2HDAC4
SCHEMBL4250281 0.81 NPC1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4251122 0.80 KDM4E (0.55) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4249438 0.79 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4253304 0.79 MAPT (0.71) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4257390 0.78 NPC1 (0.71) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4252164 0.78 SMN1; SMN2 (0.63) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4248905 0.78 NPC1 (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4253874 0.77 HPGD (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255520 0.77 SMN1; SMN2 (0.51) PDE10AHDAC3HDAC1HDAC2HDAC4

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 PDE10A 2949/4885HDAC3 3/4885HDAC1 1/4885

“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.