SCHEMBL4250488

SCHEMBL4250488

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2cc(OCCO)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
MMP13 P45452 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
NPC1 O15118 1/20 0.40
ITGB3 P05106 3/20 0.40

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
SCHEMBL4254278 0.91 HPGD (0.53) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL443586 0.91 HPGD (0.57) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4247798 0.90 HDAC3 (0.60) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4252075 0.89 SMN1; SMN2 (0.51) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4254147 0.89 HPGD (0.51) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4254752 0.88 HPGD (0.54) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4255648 0.88 HDAC3 (0.55) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4247735 0.87 HPGD (0.73) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4248598 0.86 HPGD (0.48) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL4255177 0.85 MMP13 (0.49) 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.