SCHEMBL1197837

SCHEMBL1197837

CCNNC(=O)c1ccc(C)c(N(CC(=O)NCCN(CC)C(=O)OC(C)(C)C)CC(=O)N(C)N2Cc3ccccc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 0.49
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
NAMPT P43490 2/20 0.34

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
SCHEMBL11895664 0.91 AHCY (0.50) AHCYHDAC1HDAC3HDAC2NCOR2
SCHEMBL1197730 0.88 AHCY (0.50) AHCYHDAC1HDAC3HDAC2NCOR2
SCHEMBL1197505 0.84 AHCY (0.51) AHCYNAMPT
SCHEMBL1026979 0.83 HDAC1 (0.38) AHCYHDAC1HDAC3HDAC2NCOR2
SCHEMBL11896028 0.81 AHCY (0.53) AHCYNAMPT
Hydrochloric Acid SCHEMBL1026614 0.81 AHCY (0.43) AHCYHDAC1HDAC3HDAC2NAMPT
SCHEMBL1027354 0.81 HDAC1 (0.38) AHCYHDAC1HDAC3HDAC2NCOR2
SCHEMBL11895333 0.79 AHCY (0.63) AHCY
SCHEMBL11975054 0.79 AHCY (0.56) AHCYNAMPT
SCHEMBL1024460 0.78 AHCY (0.38) AHCYNAMPT

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HDAC1 1765/4885HDAC3 3040/4885

“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.