SCHEMBL4580342

SCHEMBL4580342

COc1ccc(C(=O)Nc2cc(-c3cc[n+]([O-])cc3)ccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC2 Q92769 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
GAA P10253 2/20 0.43

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
SCHEMBL14156007 0.85 F10 (0.55) F10ALDH1A1KDM4EMAPTHPGD
SCHEMBL4579552 0.81 HDAC2 (0.72) F10ALDH1A1KDM4EMAPTHPGD
SCHEMBL12933541 0.80 MEN1 (0.78) F10ALDH1A1KDM4EMAPTHPGD
SCHEMBL12772333 0.77 CYP17A1 (0.53) HPGDHDAC1
SCHEMBL8292275 0.77 KMT2A (0.60) F10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1705492 0.74 HDAC1 (0.51) MAPTMEN1KMT2AHDAC2HDAC1
SCHEMBL5868949 0.74 AAK1 (0.50) ALDH1A1KDM4EMAPTHPGDHDAC2
SCHEMBL26169586 0.74 SMN1; SMN2 (0.41) F10ALDH1A1KDM4EMAPTHPGD
SCHEMBL17472423 0.74 HDAC1 (0.65) F10ALDH1A1MAPTHDAC2HDAC1
SCHEMBL25214971 0.73 CYP17A1 (0.46) ALDH1A1KDM4EMAPTHPGDMEN1

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 6 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
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 F10 4471/4885ALDH1A1 796/4885KDM4E 123/4885

“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.