SCHEMBL16124246

SCHEMBL16124246

CCCC[C@H](NC(=O)c1ccc2cc(N(C)C)ccc2c1)C(=O)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 5/20 0.72
PADI2 Q9Y2J8 4/20 0.72
PDE4A P27815 2/20 0.72
PDE4B Q07343 2/20 0.72
PDE4C Q08493 2/20 0.72
PDE4D Q08499 2/20 0.72
PADI6 Q6TGC4 2/20 0.72
CCKBR P32239 1/20 0.52
MCHR1 Q99705 2/20 0.50
KLKB1 P03952 1/20 0.47
EHMT2 Q96KQ7 1/20 0.45
KDM1A O60341 2/20 0.45
F7 P08709 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL2699874 0.91 PADI4 (0.74) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL2699878 0.91 PADI4 (0.74) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL2701630 0.90 PADI4 (0.73) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL28476721 0.88 PADI4 (0.72) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL10026327 0.86 PADI4 (0.72) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL10026321 0.86 PDE4A (0.67) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL10060225 0.86 PADI4 (0.67) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL29453253 0.84 PADI4 (1.00) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL10026328 0.81 PDE4A (0.50) PADI4PADI2PDE4APDE4BPDE4C
SCHEMBL17531099 0.79 KDM1A (0.62) PADI4PADI6EHMT2KDM1AMAOA

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 2 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

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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 PADI4 1/4885PADI2 2/4885PDE4A 12/4885

“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.