SCHEMBL4577475

SCHEMBL4577475

NN(C(=O)c1ccc2c(c1)CCCN2C(=O)OCc1cccnc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 1/20 0.42
CYP11B2 P19099 7/20 0.39
TNFRSF1A P19438 1/20 0.38
CYP11B1 P15538 3/20 0.36
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
LCK P06239 1/20 0.35
AURKB Q96GD4 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4579868 0.86 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8CYP11B2
SCHEMBL4577465 0.82 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4579112 0.79 NPC1 (0.49) HDAC8CYP11B2CYP11B1AVPR2OXTR
SCHEMBL4580090 0.78 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8TNFRSF1A
SCHEMBL4582008 0.78 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8TNFRSF1A
SCHEMBL1067366 0.78 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4579866 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8POLB
SCHEMBL4580814 0.76 PDK1 (0.52) HDAC1HDAC8CYP11B2CYP11B1PDK1
SCHEMBL15397978 0.71 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8TNFRSF1A
SCHEMBL1066523 0.69 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8

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 5 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
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
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 1/4885HDAC3 3/4885HDAC2 5/4885

“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.