SCHEMBL4580216

SCHEMBL4580216

CN(C)CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3ccccn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
SLC6A9 P48067 4/20 0.41
CNR1 P21554 1/20 0.40
KDR P35968 3/20 0.40
ATR Q13535 2/20 0.40
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MCHR1 Q99705 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 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
SCHEMBL4581155 0.86 BCHE (0.57) BCHECNR1KDRATMMCHR1
SCHEMBL4578784 0.85 BCHE (0.45) BCHEKDRATRATMMCHR1
SCHEMBL4578084 0.85 BCHE (0.50) BCHECNR1KDRATMABL1
SCHEMBL4580416 0.84 BCHE (0.46) BCHEKDRATMMCHR1ABL1
SCHEMBL4580365 0.84 BCHE (0.45) BCHESLC6A9ATMABL1BCR
SCHEMBL4580170 0.83 BCHE (0.43) BCHEKDRATMMCHR1
SCHEMBL4579927 0.82 BCHE (0.43) BCHEKDRATMMCHR1ABL1
SCHEMBL4579400 0.82 OXTR (0.47) BCHEKDRATMMCHR1
SCHEMBL4579680 0.81 BCHE (0.43) BCHESLC6A9CNR1KDRATM
SCHEMBL4578684 0.80 CNR1 (0.42) BCHECNR1KDRATM

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 2823/4885SLC6A9 4821/4885CNR1 4549/4885

“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.