SCHEMBL4248725

SCHEMBL4248725

O=C(NC1(C#Cc2ccc(C(=S)NO)cc2)CCNCC1)c1cc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
EGFR P00533 3/20 0.39
PIK3CA P42336 3/20 0.39
MAOB P27338 1/20 0.39
BCAT1 P54687 1/20 0.39

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
SCHEMBL4247778 0.94 CNR2 (0.45) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4253292 0.93 CNR2 (0.43) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4249434 0.93 CNR2 (0.43) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4255486 0.92 CNR2 (0.43) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4250808 0.92 CNR2 (0.43) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4815876 0.92 CNR2 (0.44) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4249446 0.86 CNR2 (0.40) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4816193 0.85 CNR2 (0.47) CNR2KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL4817951 0.85 CNR2 (0.42) CNR2KDM4EALDH1A1GAAMAPK1
SCHEMBL4255655 0.84 HDAC6 (0.39) CNR2KDM4EALDH1A1GAAMAPK1

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 CNR2 4600/4885KDM4E 369/4885ALDH1A1 601/4885

“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.