SCHEMBL5653474

SCHEMBL5653474

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccc(C)c1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.46
PTGER4 P35408 5/20 0.41
SIRT2 Q8IXJ6 2/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 3/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL5654868 0.94 HDAC1 (0.46) HDAC1PTGER4SIRT5HDAC6HDAC4
SCHEMBL5654879 0.93 HDAC1 (0.49) HDAC1PTGER4SIRT2SIRT5SIRT1
SCHEMBL5653864 0.93 HDAC1 (0.45) HDAC1PTGER4SIRT2SIRT5SIRT1
SCHEMBL5655189 0.92 HDAC1 (0.46) HDAC1PTGER4SIRT2SIRT5SIRT1
SCHEMBL5653483 0.90 HDAC1 (0.47) HDAC1PTGER4SIRT5HDAC6HDAC4
SCHEMBL5653786 0.89 HDAC1 (0.47) HDAC1PTGER4
SCHEMBL5651596 0.89 HDAC1 (0.47) HDAC1PTGER4SIRT5HDAC6HDAC4
SCHEMBL5653535 0.89 HDAC1 (0.45) HDAC1PTGER4SIRT5HDAC6HDAC4
SCHEMBL5653273 0.88 HDAC1 (0.44) HDAC1PTGER4SIRT5SIRT1
SCHEMBL5652787 0.87 HDAC1 (0.46) HDAC1PTGER4

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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 HDAC1 1416/4885PTGER4 1/4885SIRT2 784/4885

“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.