SCHEMBL63286

SCHEMBL63286

Cc1nc([N+](=O)[O-])cn1C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
SOS1 Q07889 1/20 0.47
PKM P14618 2/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MITF O75030 1/20 0.40
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL5353581 0.79 MITF (0.46) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL3282371 0.78 ALDH1A1 (0.44) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL19674728 0.78 ALDH1A1 (0.44) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL13431485 0.76 ALDH1A1 (0.75) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL18786131 0.75 ALDH1A1 (0.50) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL18776142 0.75 ALDH1A1 (0.42) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL15686430 0.75 ALDH1A1 (0.42) ALDH1A1SOS1PKMKMT2ALMNA
SCHEMBL10747319 0.75 ALDH1A1 (0.42) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL5331712 0.75 ALDH1A1 (0.42) ALDH1A1SOS1PKMPOLBKMT2A
SCHEMBL27262043 0.75 ALDH1A1 (0.54) ALDH1A1SOS1PKMPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN claimed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN claimed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN disclosed
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN disclosed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 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-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
EP-0072919-B1 PROCESS FOR THE PREPARATION OF 1,2-DIMETHYL-5-NITROIMIDAZOLE OF HIGH PURITY BASF Aktiengesellschaft (DE) 1986-01-08 EP disclosed
EP-0072919-A1 Process for the preparation of 1,2-dimethyl-5-nitroimidazole of high purity BASF Aktiengesellschaft (DE) 1983-03-02 EP disclosed
EP-0006463-B1 PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 1-ALKYL-NITROIMIDAZOLES BASF Aktiengesellschaft (DE) 1981-11-25 EP disclosed
US-4267349-A Process for the preparation of 2-substituted-alkyl-1-alkyl-nitroimidazoles BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4232165-A 2-Substituted-1-alkyl-nitroimidazoles BASF AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 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 (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-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885SOS1 2129/4885PKM 1876/4885
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885SOS1 2499/4885PKM 1119/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885SOS1 2499/4885PKM 1119/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885SOS1 2129/4885PKM 1876/4885

“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.