SCHEMBL4581337

SCHEMBL4581337

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.74
HDAC3 O15379 6/20 0.74
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
HDAC1 Q13547 6/20 0.65
HDAC8 Q9BY41 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C18 P33260 1/20 0.61
CYP2C19 P33261 1/20 0.61
KCNH2 Q12809 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL4577831 0.90 HDAC2 (0.70) HDAC2HDAC3HDAC1HDAC8KCNH2
SCHEMBL8077870 0.89 CYP1A2 (0.76) HDAC2HDAC3HDAC1HDAC8CYP1A2
SCHEMBL4579230 0.88 HDAC1 (0.65) HDAC2HDAC3HDAC1HDAC8
SCHEMBL4578619 0.87 KCNH2 (0.73) HDAC2HDAC3HDAC1KCNH2
SCHEMBL4580101 0.86 HDAC2 (0.64) HDAC2HDAC3HDAC1HDAC8KCNH2
SCHEMBL4578126 0.86 HDAC2 (0.62) HDAC2HDAC3HDAC1HDAC8CYP1A2
SCHEMBL20181636 0.85 HDAC2 (1.00) HDAC2HDAC3HDAC1CYP1A2CYP2C18
SCHEMBL1067590 0.85 HDAC3 (0.76) HDAC2HDAC3HDAC1HDAC8KCNH2
SCHEMBL2830015 0.85 HDAC1 (0.74) HDAC2HDAC3POLBMAPK1HDAC1
SCHEMBL20181629 0.84 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US claimed
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
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP 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 HDAC2 5/4885HDAC3 3/4885POLB 488/4885

“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.