SCHEMBL12560124

SCHEMBL12560124

CCC(=N)NCCC(NC(=O)c1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PADI1 Q9ULC6 5/20 0.52
▸ PADI4 Q9UM07 5/20 0.52
▸ PADI2 Q9Y2J8 4/20 0.52
▸ PDE4A P27815 3/20 0.52
▸ PADI3 Q9ULW8 3/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ PADI6 Q6TGC4 1/20 0.52
▸ MMP12 P39900 1/20 0.45
▸ PRSS1 P07477 3/20 0.44
▸ CTSG P08311 3/20 0.44
▸ CTRB1 P17538 3/20 0.44
▸ CMA1 P23946 3/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL12560110 0.93 PADI1 (0.56) PADI1PADI4PADI2PDE4APADI3
SCHEMBL12598888 0.88 PADI1 (0.59) PADI1PADI4PADI2PDE4APADI3
SCHEMBL12598887 0.87 PADI1 (0.58) PADI1PADI4PADI2PDE4APADI3
SCHEMBL12598885 0.87 PADI1 (0.54) PADI1PADI4PADI2PDE4APADI3
SCHEMBL20138329 0.81 PADI4 (0.63) PADI1PADI4PADI2PDE4APADI3
SCHEMBL1979577 0.81 PADI4 (0.63) PADI1PADI4PADI2PDE4APADI3
SCHEMBL1979695 0.80 PADI4 (0.62) PADI1PADI4PADI2PDE4APADI3
SCHEMBL19581174 0.80 PADI4 (0.62) PADI1PADI4PADI2PDE4APADI3
SCHEMBL13560779 0.80 PADI4 (0.55) PADI1PADI4PADI2PDE4APADI3
SCHEMBL158990 0.79 PADI1 (0.60) PADI1PADI4PADI2PDE4APADI3

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-7964636-B2 Synthesis and use of novel inhibitors and inactivators of protein arginine deiminases UNIVERSITY OF SOUTH CAROLINA (US) 2011-06-21 — — US disclosed
US-20090306153-A1 SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES UNIVERSITY OF SOUTH CAROLINA (US) 2009-12-10 — — 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-20090306153-A1 SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES PADI1, PADI4, PADI2 PADI1 1/4885PADI4 2/4885PADI2 3/4885

“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.

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