SCHEMBL3585555

SCHEMBL3585555

CS(=O)(=O)OCCN(CCCl)c1ccc([N+](=O)[O-])c(C(=O)NCCCOP(=O)(O)O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3584726 0.92 ALDH1A1 (0.35) ALDH1A1POLBLMNATHRATHRB
SCHEMBL3586101 0.92 ALDH1A1 (0.35) ALDH1A1POLBLMNATHRATHRB
SCHEMBL2977189 0.90 ALDH1A1 (0.37) ALDH1A1POLBLMNATHRATHRB
SCHEMBL3585528 0.87 POLB (0.32) ALDH1A1POLBPRMT5WDR77HPGD
SCHEMBL2975103 0.85 ALDH1A1 (0.37) ALDH1A1POLBLMNATHRATHRB
SCHEMBL3587292 0.84 ALDH1A1 (0.37) ALDH1A1POLBLMNATHRATHRB
SCHEMBL3577841 0.83 GSTP1 (0.35) ALDH1A1POLBLMNATHRATHRB
SCHEMBL2973039 0.83 LMNA (0.46) ALDH1A1LMNAKMT2A
SCHEMBL3582399 0.82 ALDH1A1 (0.38) ALDH1A1POLBLMNAPRMT5WDR77
SCHEMBL2977431 0.82 ALDH1A1 (0.34) ALDH1A1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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-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 (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 ALDH1A1 184/4885POLB 3572/4885LMNA 3817/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR ALDH1A1 164/4885POLB 3718/4885LMNA 3848/4885

“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.