SCHEMBL4579158

SCHEMBL4579158

CN1CCC(OC(=O)Nc2ccc(C(=O)N(N)c3cccc(-c4cccs4)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC3 O15379 4/20 0.45
CHRM3 P20309 1/20 0.43
MCHR1 Q99705 1/20 0.42
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CCKAR P32238 1/20 0.41
HTR5A P47898 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
RHOA P61586 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CSF1R P07333 2/20 0.39
KIT P10721 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 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
SCHEMBL4578951 0.95 HDAC1 (0.44) HDAC1HDAC2HDAC3CHRM3MCHR1
SCHEMBL4698377 0.86 HDAC1 (0.40) HDAC1HDAC2HDAC3MCHR1GPR119
SCHEMBL4578187 0.85 HDAC1 (0.44) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4578792 0.82 HDAC1 (0.48) HDAC1HDAC2HDAC3CHRM3
SCHEMBL4579949 0.81 HDAC1 (0.41) HDAC1HDAC2HDAC3MCHR1HTR1A
SCHEMBL4579154 0.79 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL4579714 0.79 HDAC1 (0.44) HDAC1HDAC2HDAC3
SCHEMBL4578547 0.77 HDAC1 (0.43) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4579958 0.76 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL4579984 0.76 NPC1 (0.46) HDAC1HDAC2HDAC3HTR1AADORA3

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 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.