SCHEMBL2244677

SCHEMBL2244677

COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.60
MAPT P10636 7/20 0.60
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
HTT P42858 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
AMY1A P0DUB6 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
STAT1 P42224 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL12470543 0.91 AMY1A (0.61) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL12470567 0.91 MAPT (0.62) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL31154110 0.88 AMY1A (0.63) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL12471484 0.88 AMY1A (0.72) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL17255173 0.86 RAB9A (0.49) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL2244388 0.85 NPBWR1 (0.81) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL7393888 0.84 AMY1A (0.67) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL5566197 0.83 NPC1 (0.78) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL13856173 0.81 NPBWR1 (0.80) NPBWR1MAPTRAB9ANPC1HTT
SCHEMBL3194973 0.81 AMY1A (0.65) NPBWR1MAPTRAB9ANPC1HTT

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
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-09 US disclosed
US-8518980-B2 Treatment of Duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-27 US disclosed
US-8501713-B2 Drug combinations for the treatment of duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-06 US disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO 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 (4 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-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 NPBWR1 2640/4885MAPT 3113/4885RAB9A 3748/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPBWR1 2640/4885MAPT 3113/4885RAB9A 3748/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPBWR1 146/4885MAPT 4858/4885RAB9A 4325/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPBWR1 146/4885MAPT 4858/4885RAB9A 4325/4885

“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.