SCHEMBL4253294

SCHEMBL4253294

O=C(NCCCOc1ccc(C(=S)NO)cc1)c1cc2cccc(COc3ccccc3)c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 1/20 0.41
PDE7B Q9NP56 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4252184 0.97 SMN1; SMN2 (0.55) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL444833 0.93 SMN1; SMN2 (0.55) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4252322 0.91 HDAC1 (0.47) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL443748 0.90 SMN1; SMN2 (0.59) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4251133 0.88 HPGD (0.48) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4248008 0.85 HDAC1 (0.49) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL448397 0.83 HDAC1 (0.50) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4251140 0.83 HPGD (0.69) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4248226 0.81 HDAC1 (0.59) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4247162 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HPGDTSHRHDAC1HDAC2

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

“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.