SCHEMBL5653483

SCHEMBL5653483

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccncc1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
PTGER4 P35408 5/20 0.41
SIRT5 Q9NXA8 1/20 0.39
MCHR1 Q99705 1/20 0.39
HDAC4 P56524 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HTRA1 Q92743 1/20 0.38

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
SCHEMBL5654879 0.95 HDAC1 (0.49) HDAC1PTGER4SIRT5HDAC4HDAC6
SCHEMBL5655189 0.93 HDAC1 (0.46) HDAC1PTGER4SIRT5MCHR1HTRA1
SCHEMBL5651596 0.92 HDAC1 (0.47) HDAC1PTGER4SIRT5HDAC4HDAC6
SCHEMBL5653535 0.92 HDAC1 (0.45) HDAC1PTGER4SIRT5MCHR1HDAC4
SCHEMBL5654763 0.91 HDAC1 (0.47) HDAC1PTGER4SIRT5MCHR1HDAC4
SCHEMBL5653786 0.90 HDAC1 (0.47) HDAC1PTGER4MCHR1
SCHEMBL5653474 0.90 HDAC1 (0.46) HDAC1PTGER4SIRT5HDAC4HDAC6
SCHEMBL5653273 0.90 HDAC1 (0.44) HDAC1PTGER4SIRT5MCHR1HTRA1
SCHEMBL5652787 0.89 HDAC1 (0.46) HDAC1PTGER4MCHR1
SCHEMBL5653864 0.89 HDAC1 (0.45) HDAC1PTGER4SIRT5MCHR1HDAC4

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 1/4885SIRT5 1504/4885

“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.