SCHEMBL4303387

SCHEMBL4303387

O=[N+]([O-])c1nc(Cl)[nH]c1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL3641126 0.80 GALR3 (0.39) GALR3KDM4EMAPT
SCHEMBL58879 0.78 GALR3 (0.38) GALR3KDM4EKMT2A
SCHEMBL15282119 0.72 GALR3 (0.34) GALR3KMT2A
SCHEMBL3095819 0.68 ALDH1A1 (0.33) GALR3MAPT
SCHEMBL1257988 0.68 GALR3 (0.31) GALR3
SCHEMBL21240594 0.65 GALR3 (0.33) GALR3
SCHEMBL9629226 0.65 KDM4E (0.36) GALR3KDM4EKMT2AMAPT
SCHEMBL5280090 0.64
SCHEMBL9044558 0.62
SCHEMBL35451 0.61 KMT2A (0.34) GALR3KDM4EKMT2A

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
CN-112521402-A 1,2, 4-oxadiazole [5,5] bicyclic fused ring compound and preparation method thereof 北京理工大学 2021-03-19 CN claimed
CN-112521402-A 1,2, 4-oxadiazole [5,5] bicyclic fused ring compound and preparation method thereof 北京理工大学 2021-03-19 CN disclosed
US-20210053925-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
EP-3746423-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE DERIVATIVES Otsuka Pharmaceutical Co., Ltd. (JP) 2020-12-09 EP disclosed
CN-111655670-A Process for preparing 2-chloro-4-nitroimidazole derivatives 大塚制药株式会社 2020-09-11 CN disclosed
WO-2019146113-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-08-01 WO disclosed
US-7569702-B2 Method for producing 4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070161802-A1 Method for producing 4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-07-12 US disclosed
EP-1720838-B1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2007-07-04 EP disclosed
EP-1720838-A1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-15 EP disclosed
WO-2005077913-A1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-25 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-20210053925-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE DERIVATIVES TALDO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CTPS2 GALR3 4865/4885KDM4E 1570/4885KMT2A 1765/4885
US-20070161802-A1 Method for producing 4-nitroimidazole compound COX4I1, GTF3C5, CYP4X1 GALR3 3470/4885KDM4E 1752/4885KMT2A 1832/4885

“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.