SCHEMBL3578232

SCHEMBL3578232

O=C(NCCCCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3571303 0.81 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3570941 0.81 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3584738 0.80 MAPT (0.47) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6572195 0.80 MEN1 (0.45) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6573523 0.79 LMNA (0.72) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3581644 0.77 KMT2A (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3582294 0.77 KMT2A (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL2364444 0.77 KMT2A (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3579178 0.77 KMT2A (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3585562 0.76 MAPT (0.48) SMN1; SMN2MAPTMEN1KMT2ALMNA

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 3 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-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 SMN1; SMN2 3453/4885MAPT 4066/4885MEN1 3896/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR SMN1; SMN2 3585/4885MAPT 3856/4885MEN1 3811/4885

“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.