SCHEMBL2245362

SCHEMBL2245362

O=[N+]([O-])c1ccc2oc(-c3cccs3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 7/20 0.61
KDM4E B2RXH2 4/20 0.61
TP53 P04637 1/20 0.61
GFER P55789 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MCL1 Q07820 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 7/20 0.54
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP13 P45452 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 2/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL11767064 0.90 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7058514 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL13700976 0.81 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL11714751 0.79 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25027923 0.78 KDM4E (0.71) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL2243126 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7908000 0.77 RAB9A (0.84) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL26745312 0.77 KDM4E (0.70) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL11718804 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4088004 0.77 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTHSD17B10

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
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
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 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 (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 RAB9A 3748/4885NPC1 2477/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885SMN1; 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.