SCHEMBL3149571

SCHEMBL3149571

Nc1ccc(CNC(=O)C(Cc2cccc(C(F)(F)F)c2)NC(=O)CN2CCCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CCR2 P41597 7/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CTSL P07711 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
SCHEMBL3149564 1.00 F2 (0.45) F2MAPK14POLBNFKB1PSMB5
SCHEMBL3155080 0.92 PSMB5 (0.41) F2POLBNFKB1PSMB5NFKB2
SCHEMBL3155074 0.92 PSMB5 (0.41) F2POLBNFKB1PSMB5NFKB2
SCHEMBL1433110 0.88 MAPK14 (0.45) F2MAPK14CCR2KDM4ECTSL
SCHEMBL3146146 0.87 CTSL (0.44) NFKB1PSMB5NFKB2RELACTSL
SCHEMBL3146114 0.87 CTSL (0.44) NFKB1PSMB5NFKB2RELACTSL
SCHEMBL3149873 0.86 ALDH1A1 (0.41) F2NFKB1PSMB5NFKB2RELA
SCHEMBL3149826 0.86 ALDH1A1 (0.41) F2NFKB1PSMB5NFKB2RELA
SCHEMBL1432829 0.86 NAMPT (0.45) NFKB1PSMB5NFKB2RELACCR2
SCHEMBL1432832 0.86 NAMPT (0.45) NFKB1PSMB5NFKB2RELACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 F2 1046/4885MAPK14 2952/4885POLB 1602/4885

“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.

Send feedback