SCHEMBL4539202

SCHEMBL4539202

Nc1ccccc1NC(=O)c1ccc(N2C[C@]3(Cc4ccccc4)C[C@H]2CN3C(=O)O)nc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.60

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
SCHEMBL4540562 0.92 HDAC1 (0.59) HDAC1
SCHEMBL4538647 0.90 HDAC1 (0.48) HDAC1
SCHEMBL4539704 0.90 HDAC1 (0.48) HDAC1
SCHEMBL4536575 0.88 HDAC1 (0.49) HDAC1
SCHEMBL4535144 0.88 HDAC1 (0.49) HDAC1
SCHEMBL4538612 0.86 HDAC1 (0.60) HDAC1
SCHEMBL4534443 0.82 HDAC1 (0.59) HDAC1
Trifluoroacetic Acid SCHEMBL4537306 0.82 HDAC1 (0.56) HDAC1
SCHEMBL4541817 0.78 HDAC1 (0.60) HDAC1
SCHEMBL4539216 0.77 HDAC1 (0.72) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US claimed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 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-20090105264-A1 Substituted Nicotinamide Compounds SIRT1, NQO1, TXNRD2 HDAC1 15/4885

“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.