SCHEMBL4250108

SCHEMBL4250108

CN(C)CCOc1cccc2oc(C(=O)NCC#Cc3ccc(C(=S)NO)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.39
HRH3 Q9Y5N1 3/20 0.37
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDR P35968 1/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL5497826 0.92 HDAC6 (0.42) PDPK1HRH3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4815991 0.92 HDAC6 (0.43) PDPK1HRH3HDAC3HDAC1HDAC2
SCHEMBL4255646 0.87 HTT (0.43) HDAC1HDAC2HDAC8HDAC6HTT
SCHEMBL4250396 0.82 HDAC3 (0.41) PDPK1HRH3HDAC3HDAC1HDAC2
SCHEMBL4813624 0.79 HTT (0.45) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4250748 0.77 SMN1; SMN2 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4252149 0.77 P2RY12 (0.41) PDPK1HRH3DRD2DRD3HTT
SCHEMBL4252233 0.74 HPGD (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4817866 0.73 HDAC6 (0.42) PDPK1HRH3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4817394 0.73 HDAC6 (0.42) PDPK1HRH3HDAC3HDAC1HDAC2

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 PDPK1 2534/4885HRH3 198/4885HDAC3 3/4885

“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.