SCHEMBL1431982

SCHEMBL1431982

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)CCc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.47
KLKB1 P03952 6/20 0.46
MMP1 P03956 1/20 0.43
FCER2 P06734 1/20 0.43
KLK1 P06870 2/20 0.42
F2 P00734 2/20 0.42
F10 P00742 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PSMB5 P28074 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NAMPT P43490 1/20 0.39
PRSS1 P07477 1/20 0.39
FNTA P49354 1/20 0.39
PGGT1B P53609 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL3149512 1.00 MASP2 (0.47) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1431700 0.92 KLKB1 (0.49) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL3153048 0.92 KLKB1 (0.49) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1432964 0.86 KLKB1 (0.46) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1907929 0.86 KLKB1 (0.49) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1431905 0.86 KLKB1 (0.46) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1431903 0.86 KLKB1 (0.46) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL3137925 0.85 KLKB1 (0.53) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL3137935 0.85 KLKB1 (0.53) MASP2KLKB1MMP1FCER2KLK1
SCHEMBL1431486 0.85 MASP2 (0.43) MASP2KLKB1KLK1PSMB5NFKB1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885KLKB1 3491/4885MMP1 2614/4885

“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.