SCHEMBL4255282

SCHEMBL4255282

CC(C)n1cc(Cc2ccccc2)c2cc(C(=S)NO)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLA2G4A P47712 9/20 0.38
LTB4R Q15722 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 2/20 0.38
HASPIN Q8TF76 3/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL1993104 0.86 HDAC6 (0.53) HDAC1HDAC8HDAC6PLA2G4ALTB4R
SCHEMBL4253982 0.82 HDAC1 (0.48) HDAC1HDAC8HDAC6PLA2G4AHDAC3
SCHEMBL4251089 0.81 PLA2G4A (0.56) HDAC1HDAC8HDAC6PLA2G4A
SCHEMBL4249517 0.76 HASPIN (0.39) HASPIN
SCHEMBL4255197 0.76 HASPIN (0.47) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL4254269 0.76 HASPIN (0.56) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL24872812 0.75 HTR6 (0.52) HDAC1HDAC8HDAC6PLA2G4AMEN1
SCHEMBL4251752 0.72 CDK2 (0.42) HDAC1HDAC8HDAC6PLA2G4ALTB4R
SCHEMBL15687602 0.70 HASPIN (0.50) HASPIN
SCHEMBL13948947 0.69 SLC22A12 (0.37)

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 HDAC1 1/4885HDAC8 2/4885HDAC6 11/4885

“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.