SCHEMBL366190

SCHEMBL366190

O=C(NCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCBr)CCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL13338211 0.98 KMT2A (0.43) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL13338155 0.95 KMT2A (0.43) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL14619406 0.95 KMT2A (0.40) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL3568621 0.93 KMT2A (0.43) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL2354639 0.92 KMT2A (0.42) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL3581644 0.91 KMT2A (0.41) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL2364444 0.91 KMT2A (0.41) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL13338157 0.90 KMT2A (0.43) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL5674620 0.89 KMT2A (0.43) KMT2AHPGDMEN1NPSR1LMNA
SCHEMBL366334 0.88 KMT2A (0.38) KMT2AHPGDMEN1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US claimed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 US claimed
US-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 US disclosed
US-10357577-B2 Bacterial nitroreductase enzymes and methods relating thereto AUCKLAND UNISERVICES LIMITED (NZ) 2019-07-23 US disclosed
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2017-02-16 US disclosed
US-9505791-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2016-11-29 US disclosed
US-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2015-10-22 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
EP-2593796-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO Auckland Uniservices Limited (NZ) 2013-05-22 EP disclosed
WO-2012008860-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO AUCKLAND UNISERVICES LIMITED (NZ) 2012-01-19 WO disclosed
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-7629332-B2 Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2009-12-08 US disclosed
US-7629332-B2 Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2009-12-08 US disclosed
WO-2008030112-A1 PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 US disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 US disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 US 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 (5 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-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885HPGD 305/4885MEN1 2708/4885
US-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders AKR1C2, AKR1C1, AKR1B1 KMT2A 2675/4885HPGD 123/4885MEN1 2592/4885
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP KMT2A 1372/4885HPGD 109/4885MEN1 3896/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR KMT2A 1079/4885HPGD 111/4885MEN1 3811/4885
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885HPGD 305/4885MEN1 2708/4885

“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.