SCHEMBL97919

SCHEMBL97919

O=[C]CCCC/C=C/c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 1/20 0.45
FBP1 P09467 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
MAOB P27338 5/20 0.40
CHAT P28329 1/20 0.40
RELA Q04206 1/20 0.39
CHRM5 P08912 1/20 0.39
NFE2L2 Q16236 3/20 0.38
MAOA P21397 3/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL97920 1.00 CYP1A2 (0.45) CYP1A2CYP2C9FBP1GRIK1GRIK2
SCHEMBL97921 0.83 CYP1A2 (0.49) CYP1A2CYP2C9FBP1GRIK1GRIK2
SCHEMBL2090824 0.81 CYP1A2 (0.39) CYP1A2FBP1GRIK1GRIK2MAOB
SCHEMBL2090826 0.81 CYP1A2 (0.39) CYP1A2FBP1GRIK1GRIK2MAOB
SCHEMBL97134 0.80 PAM (0.44)
SCHEMBL97133 0.80 PAM (0.44)
SCHEMBL15388001 0.80 FBP1 (0.44) CYP1A2CYP2C9FBP1GRIK1GRIK2
SCHEMBL15388002 0.80 FBP1 (0.44) CYP1A2CYP2C9FBP1GRIK1GRIK2
SCHEMBL5485529 0.79 PAM (0.43)
SCHEMBL9232451 0.79 PAM (0.43)

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 11 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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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 CYP1A2 3062/4885CYP2C9 3609/4885FBP1 3254/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP2C9 1680/4885FBP1 2536/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP2C9 1680/4885FBP1 2536/4885

“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.