SCHEMBL10060141

SCHEMBL10060141

N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.57
KDM1B Q8NB78 1/20 0.57
PADI6 Q6TGC4 2/20 0.56
PADI4 Q9UM07 9/20 0.56
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
MAOA P21397 1/20 0.52
PADI2 Q9Y2J8 5/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL10060235 0.95 KDM1A (0.59) KDM1AKDM1BPADI6PADI4MAOA
SCHEMBL10060566 0.92 PADI6 (0.69) KDM1AKDM1BPADI6PADI4MAOA
SCHEMBL10060137 0.86 PADI4 (0.54) KDM1AKDM1BPADI6PADI4MAOA
SCHEMBL10060236 0.85 HDAC4 (0.51) PADI6PADI4GRIN1GRIN2APADI2
SCHEMBL10060142 0.85 KDM1A (0.58) KDM1AKDM1BPADI6PADI4MAOA
SCHEMBL1979577 0.83 PADI4 (0.63) PADI6PADI4GRIN1GRIN2APADI2
SCHEMBL20138329 0.83 PADI4 (0.63) PADI6PADI4GRIN1GRIN2APADI2
SCHEMBL10026327 0.83 PADI4 (0.72) KDM1AKDM1BPADI6PADI4MAOA
SCHEMBL10060144 0.83 HDAC1 (0.67) PADI6PADI4PADI2
SCHEMBL10060143 0.82 PADI6 (0.62) KDM1AKDM1BPADI6PADI4MAOA

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 KDM1A 190/4885KDM1B 97/4885PADI6 5/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 KDM1A 190/4885KDM1B 97/4885PADI6 5/4885

“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.