SCHEMBL4252149

SCHEMBL4252149

CN(C)CCOc1cc(C(=O)NCC#Cc2ccc(C(=S)NO)cc2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.41
PDPK1 O15530 5/20 0.39
HTT P42858 1/20 0.36
MCHR1 Q99705 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5498852 0.92 P2RY12 (0.43) P2RY12PDPK1HTTMCHR1
Hydrochloric Acid SCHEMBL4811911 0.92 P2RY12 (0.42) P2RY12PDPK1HTTMCHR1
SCHEMBL4251739 0.87 ALOX15 (0.48) P2RY12
SCHEMBL4254095 0.86 MAPT (0.46) P2RY12HTTDRD2DRD3HRH3
Dimethylamine SCHEMBL5498858 0.79 P2RY12 (0.51) P2RY12
SCHEMBL4817283 0.79 ALOX15 (0.51) P2RY12
Dimethylamine SCHEMBL4811919 0.78 P2RY12 (0.50) P2RY12
SCHEMBL443671 0.78 HDAC6 (0.51) P2RY12HTTDRD2DRD3HRH3
SCHEMBL5498843 0.77 HDAC1 (0.39) P2RY12MAOB
SCHEMBL4250108 0.77 PDPK1 (0.39) PDPK1HTTDRD2DRD3HRH3

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 P2RY12 4605/4885PDPK1 2534/4885HTT 197/4885

“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.