SCHEMBL4580142

SCHEMBL4580142

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.59
TSHR P16473 1/20 0.59
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL4579860 0.89 HDAC1 (0.63) FAAHTSHRKDM4ELMNADRD2
SCHEMBL8223506 0.89 KDM4E (0.53) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL4581067 0.81 DRD2 (0.48) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL4581057 0.81 DRD2 (0.48) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL4581049 0.81 DRD2 (0.48) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL4580159 0.80 DRD2 (0.57) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL4579632 0.76 HDAC1 (0.72)
SCHEMBL3600828 0.75 FAAH (1.00) FAAHTSHRKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL3605147 0.75 FAAH (0.98) FAAHTSHRKDM4ELMNAALDH1A1
SCHEMBL3593927 0.72 FAAH (1.00) FAAHTSHRKDM4ELMNAALDH1A1

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 3 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

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 FAAH 2412/4885TSHR 3869/4885KDM4E 123/4885

“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.