SCHEMBL5653786

SCHEMBL5653786

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1C)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 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
PTGER4 P35408 4/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
MCHR1 Q99705 1/20 0.37
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5652253 0.93 HDAC1 (0.48) HDAC1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5652787 0.92 HDAC1 (0.46) HDAC1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5654879 0.92 HDAC1 (0.49) HDAC1PTGER4
SCHEMBL5655189 0.91 HDAC1 (0.46) HDAC1MEN1KMT2APTGER4MCHR1
SCHEMBL5653483 0.90 HDAC1 (0.47) HDAC1PTGER4MCHR1
SCHEMBL5653474 0.89 HDAC1 (0.46) HDAC1PTGER4
SCHEMBL5653273 0.89 HDAC1 (0.44) HDAC1MEN1KMT2APTGER4ALDH1A1
SCHEMBL5653535 0.89 HDAC1 (0.45) HDAC1MAPTMEN1KMT2APTGER4
SCHEMBL5651596 0.88 HDAC1 (0.47) HDAC1PTGER4
SCHEMBL5653864 0.87 HDAC1 (0.45) HDAC1PTGER4MCHR1

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 1416/4885MAPT 4848/4885SMN1; SMN2 3483/4885

“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.