SCHEMBL96967

SCHEMBL96967

O=[C]Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
ERN1 O75460 1/20 0.35
AHR P35869 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KRAS P01116 1/20 0.31
TP53 P04637 1/20 0.31
CES1 P23141 1/20 0.30

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
SCHEMBL11205961 0.81 CYP3A4 (0.44) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL5537239 0.75 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1589717 0.75 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL9165701 0.75 TAAR1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4MEN1
SCHEMBL28599801 0.75 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL15822257 0.73 PDE4D (0.33)
SCHEMBL4176549 0.72 TSHR (0.42) TSHRCYP3A4ERN1TP53
SCHEMBL5538514 0.71 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1044618 0.70 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL97308 0.70 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN 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-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885TSHR 319/4885HSD17B10 467/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ALDH1A1 2948/4885TSHR 3439/4885HSD17B10 1533/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885HSD17B10 2568/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885HSD17B10 2568/4885

“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.