SCHEMBL5652253

SCHEMBL5652253

Cc1ccccc1COC(=O)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccccc1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
PTGER4 P35408 5/20 0.44
SIRT5 Q9NXA8 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
RECQL P46063 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FOLH1 Q04609 1/20 0.37
MCHR1 Q99705 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 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
SCHEMBL5653786 0.93 HDAC1 (0.47) HDAC1PTGER4SMN1; SMN2MAPTNPC1
SCHEMBL5654551 0.91 HDAC1 (0.47) HDAC1PTGER4SIRT5FOLH1
SCHEMBL5653748 0.91 HDAC1 (0.48) HDAC1PTGER4SIRT5SMN1; SMN2NPC1
SCHEMBL5654868 0.89 HDAC1 (0.46) HDAC1PTGER4SIRT5FOLH1
SCHEMBL5655924 0.88 HDAC1 (0.47) HDAC1PTGER4SIRT5FOLH1
SCHEMBL5655045 0.88 PTGER4 (0.52) HDAC1PTGER4SIRT5FOLH1
SCHEMBL5654879 0.87 HDAC1 (0.49) HDAC1PTGER4SIRT5
SCHEMBL5654619 0.86 PTGER4 (0.48) HDAC1PTGER4SIRT5FOLH1
SCHEMBL5652787 0.85 HDAC1 (0.46) HDAC1PTGER4SMN1; SMN2MAPTNPC1
SCHEMBL5652247 0.85 HDAC1 (0.49) HDAC1PTGER4SIRT5FOLH1

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.