SCHEMBL4581155

SCHEMBL4581155

CN(C)CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
HTR1D P28221 5/20 0.44
HTR1B P28222 5/20 0.44
CYP3A4 P08684 2/20 0.43
HTR1A P08908 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
ROCK2 O75116 2/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK1 Q13464 1/20 0.40
PKM P14618 1/20 0.39
CYP17A1 P05093 1/20 0.38
NAMPT P43490 1/20 0.38
MAPK1 P28482 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
SCHEMBL4578084 0.91 BCHE (0.50) BCHEATMCNR1KDR
SCHEMBL4578784 0.87 BCHE (0.45) BCHEALDH1A1MAPTATMMAPK1
SCHEMBL4579680 0.87 BCHE (0.43) BCHEALDH1A1MAPTATMMAPK1
SCHEMBL4580216 0.86 BCHE (0.47) BCHEATMCNR1KDRMCHR1
SCHEMBL4580170 0.85 BCHE (0.43) BCHEALDH1A1MAPTTDP1ATM
SCHEMBL4580416 0.85 BCHE (0.46) BCHEHTR1DHTR1BATMROCK2
SCHEMBL4580365 0.85 BCHE (0.45) BCHEATMPKM
SCHEMBL4579927 0.85 BCHE (0.43) BCHEALDH1A1ATMMAPK1SMN1; SMN2
SCHEMBL4579400 0.84 OXTR (0.47) BCHEATMPKMKDRMCHR1
SCHEMBL4578684 0.82 CNR1 (0.42) BCHEHTR1DHTR1BALDH1A1CYP1A2

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 2823/4885HTR1D 4560/4885HTR1B 4302/4885

“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.