SCHEMBL3155080

SCHEMBL3155080

Nc1ccc(CNC(=O)C(Cc2ccc(C(F)(F)F)cc2)NC(=O)CN2CCCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CCR2 P41597 6/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PSMB8 P28062 2/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL3155074 1.00 PSMB5 (0.41) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL3149564 0.92 F2 (0.45) PSMB5NFKB1NFKB2RELAALDH1A1
SCHEMBL3149571 0.92 F2 (0.45) PSMB5NFKB1NFKB2RELAALDH1A1
SCHEMBL1432829 0.90 NAMPT (0.45) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL1432832 0.90 NAMPT (0.45) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL3149873 0.86 ALDH1A1 (0.41) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL3149826 0.86 ALDH1A1 (0.41) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL3153536 0.85 F2R (0.41) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL3153513 0.85 F2R (0.41) PSMB5NFKB1NFKB2RELAPIK3CA
SCHEMBL1432254 0.85 KLKB1 (0.39) PSMB5

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 PSMB5 1741/4885NFKB1 266/4885NFKB2 595/4885

“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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