SCHEMBL6396333

SCHEMBL6396333

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.79
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPT P10636 4/20 0.74
POLB P06746 3/20 0.74
BLM P54132 1/20 0.74
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
CTDSP1 Q9GZU7 2/20 0.64
KCNK3 O14649 1/20 0.64
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.64
DDX3X O00571 1/20 0.63
HTT P42858 1/20 0.63
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL9329754 0.90 MEN1 (0.85) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL6795867 0.87 MEN1 (0.85) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL8710919 0.87 MEN1 (0.80) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL13698359 0.86 MEN1 (0.91) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL7743046 0.86 KMT2A (0.81) LMNAMEN1KMT2AMAPTPOLB
Iodide SCHEMBL30758621 0.85 MEN1 (0.83) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL18300094 0.85 MEN1 (1.00) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL10943066 0.85 KMT2A (0.94) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL32690121 0.85 MEN1 (1.00) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL25821827 0.84 BRAF (0.69) LMNAMEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B LMNA 1762/4885MEN1 2386/4885KMT2A 2740/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 LMNA 4240/4885MEN1 3865/4885KMT2A 3718/4885

“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.