SCHEMBL4579400

SCHEMBL4579400

COc1ccc(-c2cccc(N(N)C(=O)c3ccc(NC(=O)OCCN(C)C)cc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
KDR P35968 3/20 0.46
BCHE P06276 1/20 0.42
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ATM Q13315 2/20 0.41
LMNA P02545 2/20 0.40
BTK Q06187 2/20 0.40
BRAF P15056 1/20 0.40
FYN P06241 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CHEK2 O96017 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4580170 0.90 BCHE (0.43) KDRBCHEMCHR1MEN1KMT2A
SCHEMBL4579927 0.89 BCHE (0.43) KDRBCHEMCHR1ATMBTK
SCHEMBL4578784 0.88 BCHE (0.45) KDRBCHEMCHR1ATMNPC1
SCHEMBL4578084 0.86 BCHE (0.50) KDRBCHEATMBRAF
SCHEMBL4581155 0.84 BCHE (0.57) KDRBCHEMCHR1ATMPKM
SCHEMBL4580416 0.82 BCHE (0.46) KDRBCHEMCHR1ATM
SCHEMBL4580216 0.82 BCHE (0.47) KDRBCHEMCHR1ATM
SCHEMBL4579680 0.81 BCHE (0.43) KDRBCHEMCHR1ATMCHEK2
SCHEMBL4580365 0.80 BCHE (0.45) BCHEATMPKM
SCHEMBL4579390 0.79 KDR (0.51) KDRBCHEMCHR1BRAF

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 OXTR 4810/4885KDR 4395/4885BCHE 2823/4885

“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.