SCHEMBL4628512

SCHEMBL4628512

N=C(NCc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
DRD4 P21917 1/20 0.52
POLA1 P09884 1/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MMP3 P08254 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL4629465 0.89 HDAC8 (0.57) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL5427460 0.80 MMP3 (0.67) HDAC8POLBALDH1A1LMNAMMP3
SCHEMBL4627552 0.78 TP53 (0.56) HDAC2HDAC8HDAC6POLBALDH1A1
SCHEMBL4628722 0.77 SCN5A (0.55) HDAC8DRD4POLBALDH1A1MMP3
SCHEMBL8895096 0.76 MEN1 (0.59) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL4628518 0.76 SCN2A (0.60) HDAC8DRD4ALDH1A1MMP3MEN1
SCHEMBL27903143 0.75 HDAC2 (0.73) HDAC2HDAC8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8897948 0.75 MEN1 (0.57) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL6253635 0.75 HDAC2 (0.72) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL1605906 0.74 HDAC8 (0.74) HDAC2HDAC8HDAC3HDAC4HDAC1

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-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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
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

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 HDAC2 732/4885HDAC8 887/4885HDAC3 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.