SCHEMBL5652787

SCHEMBL5652787

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1Cl)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PTGER4 P35408 3/20 0.37
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STING1 Q86WV6 1/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5653748 0.93 HDAC1 (0.48) HDAC1NPC1RAB9AALDH1A1HPGD
SCHEMBL5653786 0.92 HDAC1 (0.47) HDAC1NPC1RAB9AALDH1A1HPGD
SCHEMBL5750228 0.92 HDAC1 (0.46) HDAC1NPC1RAB9AALDH1A1HPGD
SCHEMBL5653535 0.91 HDAC1 (0.45) HDAC1MEN1KMT2APTGER4MCHR1
SCHEMBL5654879 0.91 HDAC1 (0.49) HDAC1PTGER4
SCHEMBL5653864 0.90 HDAC1 (0.45) HDAC1PTGER4MCHR1
SCHEMBL5655189 0.89 HDAC1 (0.46) HDAC1MEN1KMT2APTGER4MCHR1
SCHEMBL5653483 0.89 HDAC1 (0.47) HDAC1PTGER4MCHR1
SCHEMBL5653273 0.87 HDAC1 (0.44) HDAC1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5651596 0.87 HDAC1 (0.47) 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 1416/4885NPC1 3325/4885RAB9A 4599/4885

“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.