SCHEMBL8635371

SCHEMBL8635371

NC(=O)c1c([N+](=O)[O-])ccc(N(CCCl)CCCl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NSD2 O96028 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH3A1 P30838 1/20 0.34
MAPT P10636 4/20 0.33
CTSD P07339 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL2974168 0.87 KDM4E (0.35) HCAR3L3MBTL1TDP1KDM4EPOLB
SCHEMBL2970932 0.86 HCAR3 (0.39) HCAR3L3MBTL1TDP1KDM4EPOLB
SCHEMBL3423746 0.79 NSD2 (0.41) HCAR3TDP1KDM4EPOLBNSD2
Dimethylamine SCHEMBL8760874 0.79 HCAR3 (0.39) HCAR3L3MBTL1POLBNSD2NCOA1
SCHEMBL8635142 0.78 GSTP1 (0.43) HCAR3POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3417440 0.78 NSD2 (0.39) HCAR3L3MBTL1TDP1KDM4EPOLB
SCHEMBL8760841 0.76 KMT2A (0.38) L3MBTL1TDP1KDM4EPOLBCTDSP1
SCHEMBL6570089 0.73 TDP1 (0.47) L3MBTL1TDP1KDM4EPOLBCTDSP1
SCHEMBL3420535 0.73 HCAR3 (0.32) HCAR3MAPT
SCHEMBL29411996 0.72 MAPT (0.47) HCAR3KDM4EPOLBALDH3A1MAPT

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 10 patents. 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 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
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-5750782-A ANTICARCINOGENIC AGENTS, ANTIHYPOXIC AGENTS, PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-05-12 US disclosed
EP-0616609-B1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RES CAMPAIGN TECH (GB) 1997-06-18 EP disclosed
US-5571845-A Nitroaniline derivatives and their use as anti-tumour agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-11-05 US disclosed
EP-0616609-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS. CANCER RES CAMPAIGN TECH (GB) 1994-09-28 EP disclosed
WO-1993011099-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-06-10 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 (2 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-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP HCAR3 793/4885L3MBTL1 2167/4885TDP1 852/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR HCAR3 589/4885L3MBTL1 1995/4885TDP1 830/4885

“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.