SCHEMBL2680460

SCHEMBL2680460

Cc1ccc([C]=O)cc1NC(=O)C=Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.53
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL10054789 0.84 NAMPT (0.54) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL2705335 0.83 NAMPT (0.53) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL10077749 0.83 NAMPT (0.53) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL10054867 0.83 NAMPT (0.53) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL10054869 0.82 NAMPT (0.55) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL13352236 0.82 MMP1 (0.72) NAMPTNPC1RAB9AEGFRMMP1
SCHEMBL2679487 0.81 NAMPT (0.52) NAMPT
SCHEMBL10054865 0.81 NAMPT (0.52) NAMPT
SCHEMBL10054788 0.80 MAPT (0.59) NAMPTNPC1RAB9AMAPT
SCHEMBL2679200 0.80 NAMPT (0.63) NAMPTMAPT

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-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 — — US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 — — 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR NAMPT 3700/4885NPC1 4708/4885RAB9A 4310/4885

“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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