SCHEMBL4579745

SCHEMBL4579745

CC(=O)Oc1ccc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(C3=CC(=O)CC3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
HTT P42858 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 4/20 0.34
PTPN1 P18031 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 2/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL5767875 0.81 GPR119 (0.42) GFERCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4580321 0.80 GFER (0.40) GFERHTTLMNAGAAKMT2A
SCHEMBL4579742 0.73 KMT2A (0.46) HTTLMNAKMT2AMAPTTDP1
SCHEMBL4579772 0.73 NPC1 (0.42) GFERHTTCYP3A4CYP2C9CYP2C19
SCHEMBL2132259 0.69 CYP19A1 (0.50) LMNAALDH1A1SMN1; SMN2CYP17A1
SCHEMBL2133268 0.68 KMO (0.47) HTTCYP3A4CYP2C9CYP2C19CYP17A1
SCHEMBL4085418 0.67 TDP1 (0.51) HTTCYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4578927 0.66 TNFRSF1A (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL4518353 0.66 GPR119 (0.40) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL4505385 0.65 GPR119 (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1POLB

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 3 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 GFER 3966/4885HTT 327/4885CYP3A4 4739/4885

“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.