SCHEMBL2245484

SCHEMBL2245484

Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.85
MMP9 P14780 4/20 0.85
MMP8 P22894 4/20 0.85
MMP13 P45452 4/20 0.85
RAB9A P51151 12/20 0.75
NPC1 O15118 11/20 0.75
SMN1; SMN2 Q16637 7/20 0.75
MAPT P10636 6/20 0.75
ALDH1A1 P00352 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
PPARG P37231 2/20 0.64
LMNA P02545 1/20 0.62
CASP3 P42574 1/20 0.62
MCL1 Q07820 1/20 0.60
ATM Q13315 1/20 0.60
CEPT1 Q9Y6K0 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL10943282 0.91 RAB9A (0.83) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2245219 0.89 MMP2 (0.85) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2247322 0.86 RAB9A (0.75) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL4153246 0.86 RAB9A (0.75) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2246143 0.86 RAB9A (1.00) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2245249 0.85 NPC1 (1.00) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL14075971 0.85 RAB9A (0.70) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL14075978 0.85 NPC1 (0.70) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2244223 0.83 MMP2 (1.00) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL19380020 0.83 RAB9A (0.70) MMP2MMP9MMP8MMP13RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US claimed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 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
EP-2170396-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-07 EP disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
WO-2009019504-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-12 WO 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 MMP2 1625/4885MMP9 2761/4885MMP8 665/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 MMP2 1625/4885MMP9 2761/4885MMP8 665/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MMP2 2947/4885MMP9 3993/4885MMP8 1542/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MMP2 2947/4885MMP9 3993/4885MMP8 1542/4885

“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.