SCHEMBL4255702

SCHEMBL4255702

COc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2ccc(C(=S)NO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 2/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL4256729 0.90 MTNR1A (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL445981 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL445980 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4254030 0.80 SMN1; SMN2 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4252562 0.79 SMN1; SMN2 (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL446312 0.79 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL445026 0.79 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL445027 0.79 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4250712 0.74 TAS1R3 (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14917896 0.74 HDAC4 (0.51) HDAC1HDAC6CYP1A2CYP2C19HDAC4

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 HDAC3 3/4885HDAC1 1/4885HDAC2 4/4885

“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.