SCHEMBL13598449

SCHEMBL13598449

O=C1NC(=O)C(Cc2cccc3c2CCC(=O)N3Cc2ccc(Br)cc2)S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.44
▸ PPARA Q07869 3/20 0.44
▸ MAPT P10636 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ CISD1 Q9NZ45 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL97974 0.90 CA2 (0.42) FFAR1PPARAHDAC1HDAC8HDAC6
SCHEMBL97390 0.81 CHRM1 (0.38) MAPTPPARGCHRM5CHRM1CHRM3
SCHEMBL13598469 0.80 CA2 (0.42) ALDH1A1POLBCA2
SCHEMBL95913 0.80 CA2 (0.46) FFAR1PPARAMAPTPPARGALDH1A1
SCHEMBL98188 0.80 CA2 (0.46) FFAR1MAPTALDH1A1POLBCA2
SCHEMBL5284601 0.77 CA2 (0.39) MAPTPOLBCA2
SCHEMBL97366 0.77 NMT1 (0.35) MAPTPPARGCHRM5CHRM1CHRM3
SCHEMBL13598471 0.76 CA2 (0.42) POLBCA2
Hydrochloric Acid SCHEMBL131181 0.76 CA2 (0.38) MAPTPOLBCA2
SCHEMBL95693 0.76 CA2 (0.43) MAPTPOLBCA2GSK3B

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
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB FFAR1 2284/4885PPARA 3385/4885MAPT 4112/4885

“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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