SCHEMBL3585528

SCHEMBL3585528

CS(=O)(=O)OCCN(CCBr)c1ccc([N+](=O)[O-])c(C(=O)NCCOP(=O)(O)O)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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 0.95 ALDH1A1 (0.35) POLBKCNH2ALDH1A1PRMT5WDR77
SCHEMBL3577215 0.90 PRMT5 (0.33) POLBHPGDKCNH2ALDH1A1PRMT5
SCHEMBL3575364 0.88 PRMT5 (0.36) POLBHPGDKCNH2ALDH1A1PRMT5
SCHEMBL3580931 0.87 PRMT5 (0.35) POLBHPGDKCNH2ALDH1A1PRMT5
SCHEMBL3586101 0.87 ALDH1A1 (0.35) POLBKCNH2ALDH1A1PRMT5WDR77
SCHEMBL3585555 0.87 ALDH1A1 (0.36) POLBHPGDKCNH2ALDH1A1PRMT5
SCHEMBL5672044 0.86 ALDH1A1 (0.30) ALDH1A1PRMT5WDR77
SCHEMBL3582399 0.86 ALDH1A1 (0.38) POLBHPGDALDH1A1PRMT5WDR77
SCHEMBL5071426 0.85 ALDH1A1 (0.35) POLBKCNH2ALDH1A1PRMT5WDR77
SCHEMBL3424830 0.85 POLB (0.35) POLBHPGDALDH1A1PRMT5WDR77

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 POLB 3572/4885HPGD 109/4885KCNH2 4366/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR POLB 3718/4885HPGD 111/4885KCNH2 4161/4885

“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.