SCHEMBL5535472

SCHEMBL5535472

S=CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
IDO1 P14902 1/20 0.46
GLA P06280 1/20 0.46
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL6666096 0.81 MAPT (0.50) MAPTGAACA2MEN1KMT2A
SCHEMBL16854124 0.78 IDO1 (0.55) GAAIDO1LMNAALDH1A1
SCHEMBL244815 0.77 EPHX1 (0.52) EPHX1EPHX2MAPTGAAIDO1
SCHEMBL5271023 0.75 MAPT (0.49) EPHX1EPHX2MAPTGAAIDO1
SCHEMBL16025296 0.75 CSNK2A1 (0.45) ALDH1A1NPC1RAB9A
SCHEMBL8764231 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3090718 0.73 CA1 (0.43) EPHX1MAPTGAACA2CA4
SCHEMBL10465519 0.73 HSD17B10 (0.44) MAPTALDH1A1NPC1KDM4ECYP3A4
SCHEMBL12614443 0.72 RAPGEF4 (0.59) EPHX1EPHX2MAPTGAAIDO1
SCHEMBL3378202 0.71 MAPT (0.48) MAPTGAAIDO1LMNAMEN1

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4424363-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4354031-A HERBICIDES BASF ATIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4260775-A Substituted 3-aminopyrazoles BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed
EP-0002180-A1 Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants BASF Aktiengesellschaft (DE) 1979-06-13 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 (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 EPHX1 4071/4885EPHX2 3662/4885MAPT 4117/4885
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BCHE, PNMT, TMBIM6 EPHX1 1236/4885EPHX2 1091/4885MAPT 3785/4885

“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.