SCHEMBL2409557

SCHEMBL2409557

O=C(O)Nc1ccccc1NC(=O)c1ccc(N2CCC(O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.50
WDR91 A4D1P6 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL2413063 0.86 HDAC1 (0.66) WDR91SMN1; SMN2PLA2G1BATG4BHDAC3
SCHEMBL2406015 0.86 NAMPT (0.52) MCHR1SMN1; SMN2PLA2G1BATG4BHDAC3
SCHEMBL2408090 0.86 HDAC1 (0.66) WDR91SMN1; SMN2PLA2G1BATG4BHDAC3
SCHEMBL2408095 0.86 HDAC1 (0.66) WDR91SMN1; SMN2PLA2G1BATG4BHDAC3
SCHEMBL4551174 0.85 STAT6 (0.47) MCHR1WDR91MAPTNPC1RAB9A
SCHEMBL12193409 0.83 ALDH1A1 (0.45) MCHR1WDR91SMN1; SMN2PLA2G1BATG4B
SCHEMBL4578500 0.80 HDAC1 (0.61) MCHR1HDAC3HDAC1HDAC2
SCHEMBL4581071 0.80 HDAC1 (0.61) MCHR1HDAC3HDAC1HDAC2
SCHEMBL4578489 0.80 HDAC1 (0.61) MCHR1HDAC3HDAC1HDAC2
SCHEMBL27775390 0.79 MCHR1 (0.50) MCHR1WDR91SMN1; SMN2PLA2G1BATG4B

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
US-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 EP disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 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 (2 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 MCHR1 4257/4885WDR91 468/4885SMN1; SMN2 3776/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 MCHR1 4257/4885WDR91 468/4885SMN1; SMN2 3776/4885

“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.