SCHEMBL4463540

SCHEMBL4463540

NCc1ccc(CN(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.66
HDAC3 O15379 11/20 0.66
HDAC2 Q92769 10/20 0.66
NCOR2 Q9Y618 4/20 0.66
MAPK1 P28482 1/20 0.60
HDAC4 P56524 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
NCOR1 O75376 1/20 0.55

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
SCHEMBL22798202 0.93 HDAC1 (0.70) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL211677 0.89 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL4468742 0.86 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3610107 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL31720922 0.83 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL9986733 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL1071012 0.83 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL3610541 0.83 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL3836255 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL12684742 0.81 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 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-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC3 2/4885HDAC2 6/4885

“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.