SCHEMBL4252233

SCHEMBL4252233

COc1cccc2oc(C(=O)NCCOc3ccc(C(=S)NO)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KMT2A Q03164 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
BRD4 O60885 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.43

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
SCHEMBL445670 0.91 HDAC3 (0.55) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4258436 0.89 HPGD (0.51) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4248678 0.87 HPGD (0.52) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4248226 0.85 HDAC1 (0.59) HPGDTSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL445770 0.84 HDAC3 (0.54) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4253910 0.84 NMT2 (0.48) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4255646 0.83 HTT (0.43) HPGDTSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL4247735 0.82 HPGD (0.73) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL3665161 0.82 HDAC2 (0.53) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4247798 0.82 HDAC3 (0.60) HPGDTSHRSMN1; SMN2HDAC3HDAC1

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 HPGD 351/4885TSHR 2266/4885SMN1; SMN2 3469/4885

“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.