SCHEMBL855050

SCHEMBL855050

COCC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
ALDH1A1 P00352 5/20 0.66
POLB P06746 1/20 0.66
KMT2A Q03164 6/20 0.63
PKM P14618 1/20 0.63
MEN1 O00255 5/20 0.62
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL11142985 0.84 MAPT (0.67) MAPTALDH1A1POLBKMT2APKM
SCHEMBL14962804 0.84 HPGD (0.81) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL10876285 0.84 MEN1 (0.58) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL5343120 0.84 KMT2A (0.64) MAPTALDH1A1POLBKMT2APKM
SCHEMBL9018657 0.83 MEN1 (0.71) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL7004973 0.82 MEN1 (0.71) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1706183 0.81 KMT2A (0.65) MAPTALDH1A1POLBKMT2APKM
SCHEMBL11877123 0.81 HPGD (0.60) MAPTALDH1A1KMT2APKMMEN1
SCHEMBL27325188 0.80 KMT2A (0.56) MAPTALDH1A1POLBKMT2APKM
SCHEMBL23811 0.80 KMT2A (0.62) MAPTALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527128-B Method for continuously synthesizing 2-methoxy-4-nitroacetanilide 淮阴工学院 2024-03-26 CN claimed
CN-116041202-A Method for synthesizing 2-methoxy-4-nitroacetanilide by continuous flow reactor 浙江万丰化工股份有限公司 2023-05-02 CN claimed
CN-113185418-B Continuous flow production process of red base B 山东师范大学实验厂有限公司 2022-12-27 CN claimed
CN-113185417-B Red base B separation process 山东师范大学实验厂有限公司 2022-12-20 CN claimed
CN-113527128-A Method for continuously synthesizing 2-methoxy-4-nitroacetanilide 淮阴工学院 2021-10-22 CN claimed
CN-113185418-A Continuous flow production process of haematochrome B 山东师范大学实验厂 2021-07-30 CN claimed
CN-113185417-A Red base B separation process 山东师范大学实验厂 2021-07-30 CN claimed
CN-113527128-B Method for continuously synthesizing 2-methoxy-4-nitroacetanilide 淮阴工学院 2024-03-26 CN disclosed
CN-113527128-B Method for continuously synthesizing 2-methoxy-4-nitroacetanilide 淮阴工学院 2024-03-26 CN disclosed
CN-113527128-B Method for continuously synthesizing 2-methoxy-4-nitroacetanilide 淮阴工学院 2024-03-26 CN disclosed
CN-116041202-A Method for synthesizing 2-methoxy-4-nitroacetanilide by continuous flow reactor 浙江万丰化工股份有限公司 2023-05-02 CN disclosed
CN-116041202-A Method for synthesizing 2-methoxy-4-nitroacetanilide by continuous flow reactor 浙江万丰化工股份有限公司 2023-05-02 CN disclosed
CN-116041202-A Method for synthesizing 2-methoxy-4-nitroacetanilide by continuous flow reactor 浙江万丰化工股份有限公司 2023-05-02 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
US-4472582-A 3,5-Disubstituted-4'-(9-acridinylamino)-methane-sulfon-m-anisidide compounds having antitumor properties DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1984-09-18 US disclosed
EP-0025705-B1 COMPOUNDS HAVING ANTITUMOUR PROPERTIES, PROCESS FOR THEIR PREPARATION, THESE COMPOUNDS FOR USE AS ANTITUMOUR AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1983-06-22 EP disclosed
EP-0025705-A1 Compounds having antitumour properties, process for their preparation, these compounds for use as antitumour agents and pharmaceutical compositions containing them DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1981-03-25 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MAPT 3898/4885ALDH1A1 3447/4885POLB 1347/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885ALDH1A1 3620/4885POLB 847/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885ALDH1A1 3601/4885POLB 1683/4885

“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.