SCHEMBL97222

SCHEMBL97222

O=[C]CCC/C=C/Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
TOP1 P11387 1/20 0.39
IDO1 P14902 3/20 0.33
AGXT P21549 2/20 0.33
CHRM2 P08172 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 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
SCHEMBL97223 1.00 KCNH2 (0.41) KCNH2TOP1IDO1AGXTCHRM2
SCHEMBL2096811 0.91 KCNH2 (0.41) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL2096813 0.91 KCNH2 (0.41) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL96727 0.82 TOP1 (0.57) KCNH2TOP1MAOBCNR1
SCHEMBL96728 0.82 TOP1 (0.57) KCNH2TOP1MAOBCNR1
SCHEMBL2095759 0.80 KCNH2 (0.44) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL2095761 0.80 KCNH2 (0.44) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL5542917 0.79 KCNH2 (0.38) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL5542921 0.79 KCNH2 (0.38) KCNH2TOP1IDO1AGXTMAOB
SCHEMBL97224 0.79 KCNH2 (0.43) KCNH2TOP1IDO1AGXTCHRM2

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 16 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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US 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
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (4 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 KCNH2 3417/4885TOP1 1468/4885IDO1 2039/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KCNH2 3121/4885TOP1 585/4885IDO1 2665/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KCNH2 3445/4885TOP1 3013/4885IDO1 2948/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KCNH2 3445/4885TOP1 3013/4885IDO1 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.