SCHEMBL64590

SCHEMBL64590

O=[N+]([O-])c1cn2c(n1)OC[C@@H](O)C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.49
KCNH2 Q12809 4/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL65130 1.00 CHRM1 (0.49) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL3212150 1.00 CHRM1 (0.49) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL3195372 0.85 CHRM1 (0.49) CHRM1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL12175735 0.85 CHRM1 (0.49) CHRM1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL1228827 0.83 CHRM1 (0.50) CHRM1KCNH2ALDH1A1POLB
SCHEMBL13461150 0.82 CHRM1 (0.49) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL63296 0.82 CHRM1 (0.49) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL65059 0.82 CHRM1 (0.49) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL13433888 0.79 CHRM1 (0.47) CHRM1KCNH2ALDH1A1POLBMAPT
SCHEMBL16556791 0.79 CHRM1 (0.52) CHRM1KCNH2ALDH1A1POLB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385930-B Preparation method of primani 药璞(上海)医药科技有限公司 2024-04-05 CN claimed
CN-115385930-A Preparation method of Primanib 药璞(上海)医药科技有限公司 2022-11-25 CN claimed
CN-115385930-B Preparation method of primani 药璞(上海)医药科技有限公司 2024-04-05 CN disclosed
CN-115385930-B Preparation method of primani 药璞(上海)医药科技有限公司 2024-04-05 CN disclosed
CN-115385930-A Preparation method of Primanib 药璞(上海)医药科技有限公司 2022-11-25 CN disclosed
CN-115385930-A Preparation method of Primanib 药璞(上海)医药科技有限公司 2022-11-25 CN disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2254892-B1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-04-23 EP disclosed
US-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same OTSUKA PHARMACEUTICAL CO., LTD. 2012-05-24 US disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 US disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 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 (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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR CHRM1 286/4885KCNH2 1417/4885ALDH1A1 836/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR CHRM1 286/4885KCNH2 1417/4885ALDH1A1 836/4885
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 CHRM1 4498/4885KCNH2 3167/4885ALDH1A1 1997/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR CHRM1 286/4885KCNH2 1417/4885ALDH1A1 836/4885

“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.