SCHEMBL3576339

SCHEMBL3576339

O=C(NCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCCl)CCCl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CDK1 P06493 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
GSTO1 P78417 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
SCHEMBL3580003 0.97 KMT2A (0.42) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3579178 0.96 KMT2A (0.41) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3582294 0.96 KMT2A (0.41) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3583472 0.93 KMT2A (0.44) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3568621 0.89 KMT2A (0.43) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL8636262 0.88 KMT2A (0.46) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL2354639 0.86 KMT2A (0.42) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL12104176 0.86 HDAC1 (0.52)
SCHEMBL3685958 0.85 MEN1 (0.36) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3581644 0.85 KMT2A (0.41) KMT2AMEN1HPGDNPSR1MAPT

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-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-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 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

“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.