SCHEMBL1993428

SCHEMBL1993428

Cn1c(C(=O)O)cnc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.33
AR P10275 1/20 0.33
MITF O75030 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11776821 0.86 LMNA (0.40) ENO1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL28881823 0.81 MAPT (0.54) ENO1SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL11775144 0.80 ENO1 (0.34) ENO1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL23107969 0.78 POLB (0.35) SMN1; SMN2L3MBTL1POLBALDH1A1MAPK1
SCHEMBL1978459 0.78 MAPT (0.47) SMN1; SMN2LMNAL3MBTL1POLBMAPT
SCHEMBL17450553 0.77 POLB (0.33) SMN1; SMN2LMNAL3MBTL1POLBMAPT
SCHEMBL28286528 0.76 ENO1 (0.40) ENO1SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL12208276 0.74 MAPK1 (0.39) ENO1SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL25106761 0.73 NOTUM (0.34) SMN1; SMN2L3MBTL1POLBMAPTALDH1A1
SCHEMBL4962139 0.73 ENO1 (0.40) ENO1SMN1; SMN2LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116803989-A Preparation process of 1-N-methyl-2-nitro-5-hydroxymethyl imidazole 深圳艾欣达伟医药科技有限公司 2023-09-26 CN claimed
US-12115226-B2 Linker containing arylnitro, antibody-drug conjugate containing linker and use of linker ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2024-10-15 US disclosed
CN-117756848-A TH-302 derivative and preparation method thereof 常州大学 2024-03-26 CN disclosed
CN-116803989-A Preparation process of 1-N-methyl-2-nitro-5-hydroxymethyl imidazole 深圳艾欣达伟医药科技有限公司 2023-09-26 CN disclosed
US-20210205464-A1 Linker Containing Arylnitro, Antibody-Drug Conjugate Containing Linker and Use of Linker ZHEJIANG YANGSHENGTANG INSTITUTE OF NATURAL MEDICATION CO., LTD. (CN) 2021-07-08 US disclosed
EP-3845251-A1 LINKER CONTAINING ARYLNITRO, ANTIBODY-DRUG CONJUGATE CONTAINING LINKER AND USE OF LINKER Academy of Military Medical Sciences (CN) 2021-07-07 EP disclosed
US-10654876-B2 TH-302 solid forms and methods related thereto MOLECULAR TEMPLATES, INC. (US) 2020-05-19 US disclosed
WO-2020043129-A1 LINKER CONTAINING ARYLNITRO, ANTIBODY-DRUG CONJUGATE CONTAINING LINKER AND USE OF LINKER 中国人民解放军军事科学院军事医学研究院 2020-03-05 WO disclosed
US-20190127404-A1 TH-302 SOLID FORMS AND METHODS RELATED THERETO MOLECULAR TEMPLATES, INC. (US) 2019-05-02 US disclosed
US-20170210769-A1 TH-302 SOLID FORMS AND METHODS RELATED THERETO THRESHOLD PHARMACEUTICALS, INC. (US) 2017-07-27 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
CN-101501054-A Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS INC (US) 2009-08-05 CN disclosed
EP-1896040-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 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 (6 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-20210205464-A1 Linker Containing Arylnitro, Antibody-Drug Conjugate Containing Linker and Use of Linker BCR, FCGRT, ERBB2 ENO1 360/4885SMN1; SMN2 1146/4885LMNA 1264/4885
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP ENO1 1951/4885SMN1; SMN2 1598/4885LMNA 3316/4885
US-10654876-B2 TH-302 solid forms and methods related thereto THPO, TBXAS1, TMSB4X ENO1 1702/4885SMN1; SMN2 761/4885LMNA 2551/4885
US-12115226-B2 Linker containing arylnitro, antibody-drug conjugate containing linker and use of linker BCR, FCGR2A, FCGRT ENO1 496/4885SMN1; SMN2 1159/4885LMNA 1130/4885
US-20190127404-A1 TH-302 SOLID FORMS AND METHODS RELATED THERETO THPO, TBXAS1, TMSB4X ENO1 1702/4885SMN1; SMN2 761/4885LMNA 2551/4885
US-20170210769-A1 TH-302 SOLID FORMS AND METHODS RELATED THERETO THPO, TBXAS1, TMSB4X ENO1 1702/4885SMN1; SMN2 761/4885LMNA 2551/4885

“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.