SCHEMBL4255177

SCHEMBL4255177

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2cc(OCCN3CCOCC3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
HDAC1 Q13547 2/20 0.46
KDM1A O60341 1/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP1A2 P05177 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4252248 0.94 CYP1A2 (0.51) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4248598 0.93 HPGD (0.48) SMN1; SMN2HPGDTSHRHDAC1KDM4E
SCHEMBL444605 0.92 HDAC1 (0.54) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4253905 0.89 ALDH1A1 (0.45) MMP13SMN1; SMN2HDAC1KDM1AGAA
SCHEMBL443259 0.86 HDAC1 (0.55) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL416282 0.85 HPGD (0.51) SMN1; SMN2HPGDTSHRHDAC1KDM1A
SCHEMBL4250488 0.85 HPGD (0.54) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4254278 0.84 HPGD (0.53) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4253149 0.84 HPGD (0.48) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4247798 0.83 HDAC3 (0.60) SMN1; SMN2HPGDTSHRHDAC1CYP2D6

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 MMP13 1693/4885SMN1; SMN2 3469/4885HPGD 351/4885

“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.