SCHEMBL96251

SCHEMBL96251

[CH2]c1ccc(C(=O)NC(Cc2cnc[nH]2)C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ ITGB2 P05107 3/20 0.49
▸ ICAM1 P05362 3/20 0.49
▸ ITGAL P20701 3/20 0.49
▸ SCN9A Q15858 2/20 0.48
▸ AGTR2 P50052 1/20 0.45
▸ REN P00797 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.40
▸ TRHR P34981 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
SCHEMBL1394395 0.87 CA1 (0.62) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL94828 0.86 CA1 (0.55) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL4525493 0.77 CA1 (0.72) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL10658536 0.77 CA1 (0.71) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL31326521 0.74 CYP3A4 (0.54) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL14490956 0.74 CYP3A4 (0.54) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL15834045 0.74 CYP3A4 (0.54) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL12711228 0.74 REN (0.54) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL9830757 0.74 CA2 (0.67) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL12405394 0.73 CYP3A4 (0.53) CA1CA2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — 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 (3 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 CA1 3276/4885CA2 823/4885ITGB2 3777/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA1 2592/4885CA2 254/4885ITGB2 2744/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA1 2592/4885CA2 254/4885ITGB2 2744/4885

“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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