SCHEMBL4580416

SCHEMBL4580416

COc1ncccc1-c1cccc(N(N)C(=O)c2ccc(NC(=O)OCCN(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ABL1 P00519 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MCHR1 Q99705 1/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
BCR P11274 1/20 0.36
KDR P35968 4/20 0.36
FGFR3 P22607 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
NAMPT P43490 1/20 0.35
KLKB1 P03952 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ROCK2 O75116 1/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL4581155 0.85 BCHE (0.57) BCHEMCHR1ATMHTR1DHTR1B
SCHEMBL4580216 0.84 BCHE (0.47) BCHEABL1MCHR1ATMBCR
SCHEMBL4578084 0.84 BCHE (0.50) BCHEABL1ATMBCRKDR
SCHEMBL4579400 0.82 OXTR (0.47) BCHEMCHR1ATMKDR
SCHEMBL4578784 0.82 BCHE (0.45) BCHEMCHR1ATMKDR
SCHEMBL4580365 0.81 BCHE (0.45) BCHEABL1ATMBCR
SCHEMBL4580170 0.80 BCHE (0.43) BCHEMCHR1ATMKDR
SCHEMBL4579569 0.80 HDAC1 (0.46) BCHEABL1MCHR1
SCHEMBL4579927 0.80 BCHE (0.43) BCHEABL1MCHR1ATMKDR
SCHEMBL4579680 0.78 BCHE (0.43) BCHEMCHR1ATMMTNR1AMTNR1B

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 2823/4885ABL1 1873/4885FFAR4 4570/4885

“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.