SCHEMBL2245249

SCHEMBL2245249

COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MAPT P10636 7/20 0.81
ALDH1A1 P00352 2/20 0.81
LMNA P02545 4/20 0.76
CASP3 P42574 1/20 0.76
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MMP2 P08253 3/20 0.67
MMP9 P14780 3/20 0.67
MMP8 P22894 3/20 0.67
MMP13 P45452 3/20 0.67
TP53 P04637 4/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MCL1 Q07820 1/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56

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 0.88 RAB9A (0.83) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2245484 0.85 MMP2 (0.85) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4153246 0.83 RAB9A (0.75) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2247322 0.83 RAB9A (0.75) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2246143 0.82 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14075971 0.82 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14075978 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19380020 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL17199258 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11561892 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 NPC1 2477/4885RAB9A 3748/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885SMN1; SMN2 9/4885

“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.