SCHEMBL4579680

SCHEMBL4579680

CN(C)CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3ccsc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
CNR1 P21554 1/20 0.39
ATM Q13315 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDR P35968 2/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CHEK2 O96017 2/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 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
SCHEMBL4580638 0.90 BCHE (0.43) BCHECNR1ATMHDAC1SMN1; SMN2
SCHEMBL4581155 0.87 BCHE (0.57) BCHECNR1ATMSMN1; SMN2ALDH1A1
SCHEMBL4580365 0.85 BCHE (0.45) BCHEATMSLC6A9
SCHEMBL4578084 0.84 BCHE (0.50) BCHECNR1ATMHDAC1KDR
SCHEMBL4578784 0.84 BCHE (0.45) BCHEATMSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4578684 0.82 CNR1 (0.42) BCHECNR1ATMHDAC1SMN1; SMN2
SCHEMBL4580170 0.82 BCHE (0.43) BCHEATMSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4579927 0.81 BCHE (0.43) BCHEATMSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4580216 0.81 BCHE (0.47) BCHECNR1ATMKDRSLC6A9
SCHEMBL4579080 0.81 BCHE (0.40) BCHECNR1ATMSMN1; SMN2ALDH1A1

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 BCHE 2823/4885CNR1 4549/4885ATM 2106/4885

“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.