SCHEMBL95859

SCHEMBL95859

O=[C]CCC=CCc1ccc(I)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
CYP3A4 P08684 2/20 0.35
IDO1 P14902 2/20 0.35
TOP1 P11387 1/20 0.34
SPHK2 Q9NRA0 6/20 0.31
SPHK1 Q9NYA1 6/20 0.31
APP P05067 2/20 0.31

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
SCHEMBL95858 1.00 MAOB (0.35) MAOBCYP3A4IDO1TOP1SPHK2
SCHEMBL2096811 0.83 KCNH2 (0.41) MAOBIDO1TOP1
SCHEMBL2096813 0.83 KCNH2 (0.41) MAOBIDO1TOP1
SCHEMBL97047 0.81 MAOB (0.60) MAOBTOP1
SCHEMBL97048 0.81 MAOB (0.60) MAOBTOP1
SCHEMBL95860 0.79 TOP1 (0.41) MAOBCYP3A4IDO1TOP1APP
SCHEMBL97223 0.75 KCNH2 (0.41) MAOBIDO1TOP1
SCHEMBL97222 0.75 KCNH2 (0.41) MAOBIDO1TOP1
SCHEMBL96516 0.71 CYP3A4 (0.38) CYP3A4IDO1SPHK2SPHK1APP
SCHEMBL96728 0.70 TOP1 (0.57) MAOBTOP1

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 MAOB 2043/4885CYP3A4 3412/4885IDO1 2039/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885CYP3A4 953/4885IDO1 2948/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885CYP3A4 953/4885IDO1 2948/4885

“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.