SCHEMBL3146146

SCHEMBL3146146

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.44
▸ CTSV O60911 7/20 0.44
▸ CTSS P25774 7/20 0.44
▸ CTSK P43235 4/20 0.44
▸ PSMB5 P28074 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ PSMB8 P28062 3/20 0.42
▸ CTSB P07858 4/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB10 P40306 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3146114 1.00 CTSL (0.44) CTSLCTSVCTSSCTSKPSMB5
SCHEMBL3144809 0.90 PIK3CA (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3144799 0.90 PIK3CA (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3149873 0.88 ALDH1A1 (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3149826 0.88 ALDH1A1 (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3153536 0.87 F2R (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3153513 0.87 F2R (0.41) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL3149564 0.87 F2 (0.45) CTSLPSMB5NFKB1NFKB2RELA
SCHEMBL3149571 0.87 F2 (0.45) CTSLPSMB5NFKB1NFKB2RELA
SCHEMBL1432414 0.87 CTSL (0.44) CTSLCTSVCTSSCTSKTP53

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 CTSL 2316/4885CTSV 4079/4885CTSS 3171/4885

“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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