SCHEMBL10060140

SCHEMBL10060140

N=C(CCl)NCCC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.56
PADI4 Q9UM07 13/20 0.53
PADI2 Q9Y2J8 10/20 0.53
NFKB1 P19838 1/20 0.48
PSMB5 P28074 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC1 Q13547 2/20 0.47
EGFR P00533 1/20 0.45
PADI6 Q6TGC4 2/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL10061245 0.92 MCHR1 (0.55) MCHR1PADI4PADI2NFKB1PSMB5
SCHEMBL10060144 0.84 HDAC1 (0.67) MCHR1PADI4PADI2HDAC1PADI6
SCHEMBL10060141 0.82 KDM1A (0.57) PADI4PADI2PADI6PDE4APDE4B
SCHEMBL10060235 0.79 KDM1A (0.59) PADI4PADI2PADI6
SCHEMBL10060566 0.79 PADI6 (0.69) PADI4PADI2PADI6PDE4APDE4B
SCHEMBL10060137 0.78 PADI4 (0.54) PADI4PADI2PADI6
SCHEMBL10026327 0.77 PADI4 (0.72) MCHR1PADI4PADI2PADI6PDE4A
SCHEMBL10060574 0.76 HDAC1 (0.66) MCHR1PADI4PADI2NFKB1PSMB5
SCHEMBL26268654 0.74 TLR2 (0.45) PADI4PADI6
SCHEMBL24627779 0.72 PADI4 (0.42) MCHR1PADI4PADI2PADI6PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969333-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-03 US disclosed
US-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2014-09-25 US disclosed
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 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 (2 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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 MCHR1 4874/4885PADI4 1/4885PADI2 2/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 MCHR1 4874/4885PADI4 1/4885PADI2 2/4885

“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.