SCHEMBL94828

SCHEMBL94828

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ ITGB2 P05107 3/20 0.50
▸ ICAM1 P05362 3/20 0.50
▸ ITGAL P20701 3/20 0.50
▸ HTR1D P28221 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR1E P28566 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ PDE5A O76074 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AGTR2 P50052 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL11158707 0.88 ITGB2 (0.58) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL96251 0.86 CA1 (0.60) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL5808674 0.80 HTR1D (0.51) ITGB2ICAM1ITGALHTR1DHTR2C
SCHEMBL7598348 0.80 ITGB2 (0.55) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL9830757 0.79 CA2 (0.67) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL24106817 0.78 ALOX5 (0.48) ITGB2ICAM1ITGALHTR1DHTR2C
SCHEMBL4535076 0.78 HTR1D (0.48) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL28614792 0.78 ALOX5 (0.48) ITGB2ICAM1ITGALHTR1DHTR2C
SCHEMBL13912236 0.78 HTR1D (0.49) ITGB2ICAM1ITGALHTR1DHTR2C
SCHEMBL10658536 0.77 CA1 (0.71) 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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