SCHEMBL4579080

SCHEMBL4579080

CSc1ccc(-c2cccc(N(N)C(=O)c3ccc(NC(=O)OCCN(C)C)cc3)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
CNR1 P21554 2/20 0.37
ATM Q13315 1/20 0.35
HSD17B1 P14061 4/20 0.35
HSD17B2 P37059 4/20 0.35
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
DRD4 P21917 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4578684 0.88 CNR1 (0.42) BCHECNR1ATMHSD17B1HSD17B2
SCHEMBL4579680 0.81 BCHE (0.43) BCHECNR1ATMMAPK1SMN1; SMN2
SCHEMBL4581155 0.81 BCHE (0.57) BCHECNR1ATMMAPK1SMN1; SMN2
SCHEMBL4578547 0.79 HDAC1 (0.43) BCHEMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4578784 0.79 BCHE (0.45) BCHEATMMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4578084 0.79 BCHE (0.50) BCHECNR1ATMKDR
SCHEMBL4579073 0.79 HDAC1 (0.46) BCHEKCNH2
SCHEMBL4580365 0.79 BCHE (0.45) BCHEATMKCNH2
SCHEMBL4580216 0.78 BCHE (0.47) BCHECNR1ATMKDRMCHR1
SCHEMBL4580170 0.78 BCHE (0.43) BCHEATMMAPK1SMN1; 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.