SCHEMBL4579860

SCHEMBL4579860

Nc1ccc(-c2cccs2)cc1NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.63
HDAC2 Q92769 12/20 0.63
HDAC3 O15379 11/20 0.63
FAAH O00519 4/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55

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
SCHEMBL4580142 0.89 FAAH (0.59) FAAHTSHRKDM4ELMNADRD2
SCHEMBL4579632 0.85 HDAC1 (0.72) HDAC1HDAC2HDAC3
SCHEMBL8223506 0.85 KDM4E (0.53) HDAC1HDAC2HDAC3FAAHTSHR
SCHEMBL4580468 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3LMNADRD2
SCHEMBL4579926 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3LMNADRD2
SCHEMBL4579931 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3LMNADRD2
SCHEMBL4579936 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3LMNADRD2
SCHEMBL4755005 0.80 KDM4E (0.54) HDAC1HDAC2KDM4ELMNADRD2
SCHEMBL4578391 0.80 DRD2 (0.56) HDAC1HDAC2HDAC3DRD2DRD4
SCHEMBL8228556 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3DRD2DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 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.