SCHEMBL700564

SCHEMBL700564

O=[N+]([O-])c1cc(CCl)cs1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
TSHR P16473 2/20 0.43
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PAX8 Q06710 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
GRM8 O00222 2/20 0.36
GRM4 Q14833 2/20 0.36
GRM6 O15303 1/20 0.36
GAA P10253 1/20 0.33
MCHR1 Q99705 1/20 0.33
PLCG2 P16885 1/20 0.31
ATG4B Q9Y4P1 1/20 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
SCHEMBL13753721 0.80 PTPRC (0.41) PTPRCMAPTNPSR1KMT2AALDH1A1
SCHEMBL693608 0.80 PTPRC (0.45) PTPRCTSHRMAPTNPSR1KMT2A
SCHEMBL11537268 0.77 PTPRC (0.39) PTPRCMAPTNPSR1KMT2AALDH1A1
SCHEMBL14445422 0.76 PTPRC (0.41) PTPRCTSHRMAPTNPSR1KMT2A
SCHEMBL826939 0.72
SCHEMBL9320506 0.72 KCNH2 (0.47) ALDH1A1
SCHEMBL14445423 0.71 RPS6KB2 (0.45) PTPRCMAPTNPSR1KMT2AALDH1A1
SCHEMBL2136898 0.71 XDH (0.40) PTPRCMAPTNPSR1KMT2A
SCHEMBL2016370 0.70 PTPRC (0.46) PTPRCTSHRMAPTNPSR1KMT2A
SCHEMBL9005006 0.70 PTPRC (0.46) PTPRCTSHRMAPTNPSR1KMT2A

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
EP-3810595-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112334462-A OGA inhibitor compounds 詹森药业有限公司 2021-02-05 CN disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
CN-102448952-B Antiviral compounds and uses thereof ABBVIE (US) 2014-10-29 CN disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
CN-102448952-A Antiviral compounds and uses thereof ABBOTT LAB 2012-05-09 CN disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 PTPRC 576/4885TSHR 4664/4885MAPT 4152/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PTPRC 4067/4885TSHR 4632/4885MAPT 7/4885

“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.