SCHEMBL3421005

SCHEMBL3421005

CS(=O)(=O)OCCN(CCCl)c1c(C(=O)NCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.34
HKDC1 Q2TB90 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL366030 0.95 KMT2A (0.41) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL3685958 0.93 MEN1 (0.36) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL13338188 0.93 KMT2A (0.38) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL13338199 0.92 TDP1 (0.40) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL29468020 0.91 KMT2A (0.38) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL366334 0.91 KMT2A (0.38) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL2977544 0.91 KMT2A (0.38) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL2977784 0.90 MEN1 (0.36) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL3579943 0.90 KMT2A (0.40) KMT2AMEN1HPGDNPSR1NPC1
SCHEMBL3418938 0.90 KMT2A (0.36) KMT2AMEN1HPGDNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 US claimed
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
EP-1669353-B1 Process for preparing alpha, beta - unsaturated esters DAISO CO LTD (JP) 2009-05-20 EP claimed
EP-1791905-B1 MIXTURE, POLYESTER COMPOSITION, FILM AND METHOD FOR PRODUCING THE SAME LURGI ZIMMER GMBH (DE) 2008-12-03 EP claimed
EP-1791905-A1 MIXTURE, POLYESTER COMPOSITION, FILM AND METHOD FOR PRODUCING THE SAME Zimmer AG (DE) 2007-06-06 EP 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
CN-1902159-A Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LTD (NZ) 2007-01-24 CN claimed
WO-2006034745-A1 MIXTURE, POLYESTER COMPOSITION, FILM AND METHOD FOR PRODUCING THE SAME ZIMMER AG (DE) 2006-04-06 WO claimed
EP-1264852-B1 Process for the preparation of polyester resins MONTEFIBRE SPA (IT) 2004-07-28 EP claimed
EP-1572113-B1 CALCIUM RECEPTOR MODULATING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9447100-B2 Substituted pyrazolo[1,5-A] pyrimidines as calcium receptor modulating agents TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2016-09-20 US disclosed
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
CN-1902159-B Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LTD 2010-06-09 CN disclosed
US-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 US disclosed
EP-0320753-A2 Derivatives of cyclic aminoacids, their preparation, compounds containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 EP disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed
EP-0080154-B1 N-SUBSTITUTED 2-PYRIDYL INDOLES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1985-08-28 EP disclosed
EP-0129051-A2 Substituted indoles CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0126401-A1 Indole compounds CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed
EP-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 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-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom HRH2, HRH4, H1-2 KMT2A 75/4885MEN1 2521/4885HPGD 1510/4885
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP KMT2A 1372/4885MEN1 3896/4885HPGD 109/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR KMT2A 1079/4885MEN1 3811/4885HPGD 111/4885
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS CASR, NR2C2, RYR1 KMT2A 3123/4885MEN1 3119/4885HPGD 2279/4885

“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.