SCHEMBL4629465

SCHEMBL4629465

N=C(NCc1ccccc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
POLB P06746 1/20 0.55
NSD2 O96028 3/20 0.54
MMP3 P08254 1/20 0.53
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
PLK1 P53350 1/20 0.51
KDM4E B2RXH2 2/20 0.51
GSK3B P49841 1/20 0.51
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL4628512 0.89 HDAC2 (0.55) HDAC8HDAC2HDAC3HDAC4HDAC1
SCHEMBL4628722 0.87 SCN5A (0.55) HDAC8POLBMMP3SCN5ASCN2A
SCHEMBL27903143 0.86 HDAC2 (0.73) HDAC8HDAC2HDAC3HDAC4HDAC1
SCHEMBL5427460 0.84 MMP3 (0.67) HDAC8POLBMMP3PLK1KDM4E
SCHEMBL4629270 0.84 SCN5A (0.61) POLBSCN5ASCN2AKDM4EHPGD
SCHEMBL4629442 0.83 LMNA (0.54) HDAC8HDAC2HDAC3HDAC4HDAC1
SCHEMBL6253635 0.79 HDAC2 (0.72) HDAC8HDAC2HDAC3HDAC4HDAC1
SCHEMBL1605906 0.79 HDAC8 (0.74) HDAC8HDAC2HDAC3HDAC4HDAC1
SCHEMBL7881966 0.78 GABRP (0.64) HDAC1HDAC6POLBKMT2A
SCHEMBL3781509 0.77 MMP3 (0.67) HDAC8POLBMMP3SCN5ASCN2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA HDAC8 887/4885HDAC2 732/4885HDAC3 491/4885

“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.