SCHEMBL4252248

SCHEMBL4252248

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2ccc(OCCN3CCOCC3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
MMP13 P45452 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL4255177 0.94 MMP13 (0.49) CYP1A2MMP13SMN1; SMN2HPGDTSHR
SCHEMBL443259 0.92 HDAC1 (0.55) CYP1A2MMP13SMN1; SMN2HPGDTSHR
SCHEMBL4248598 0.87 HPGD (0.48) SMN1; SMN2HPGDTSHRHDAC1KDM4E
SCHEMBL444605 0.86 HDAC1 (0.54) CYP1A2MMP13SMN1; SMN2HPGDTSHR
SCHEMBL4248041 0.84 HPGD (0.54) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4253905 0.83 ALDH1A1 (0.45) CYP1A2MMP13SMN1; SMN2KDM1AHDAC1
SCHEMBL4254715 0.81 RXFP1 (0.49) CYP1A2MMP13SMN1; SMN2HPGDTSHR
SCHEMBL4252213 0.81 HPGD (0.55) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL4247735 0.80 HPGD (0.73) MMP13SMN1; SMN2HPGDTSHRHDAC1
SCHEMBL14917961 0.79 HDAC4 (0.60) CYP1A2MMP13HDAC1

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 CYP1A2 2992/4885MMP13 1693/4885SMN1; 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.