SCHEMBL514661

SCHEMBL514661

O=[C]COc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
MAOB P27338 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2170360 0.88 CA12 (0.42) CA1CA2CA9POLBCA12
SCHEMBL98739 0.78 KDM4E (0.44) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL1785520 0.77 MAOB (0.43) APPRXRARXRBPOLBMAOB
SCHEMBL3805100 0.77 CA12 (0.53) APPCA1CA2CA9CA12
SCHEMBL99544 0.77 DAO (0.43) APPCA1CA2CA9CA12
SCHEMBL6978990 0.77 TDP1 (0.52) APPCA1CA2CA9CA12
SCHEMBL10947087 0.77 NQO1 (0.64) CA1CA2CA9POLBCA12
SCHEMBL514644 0.77 L3MBTL1 (0.47) MAOBMAPTDRD4DRD2DRD3
SCHEMBL2641227 0.77 LTA4H (0.47) APPKMT2A
SCHEMBL2641343 0.77 CA12 (0.50) APPCA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2755949-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
WO-2013037717-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 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 (2 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 APP 4262/4885RXRA 143/4885RXRB 117/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 APP 4785/4885RXRA 1000/4885RXRB 1130/4885

“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.