SCHEMBL2244487

SCHEMBL2244487

O=[N+]([O-])c1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.78
NPC1 O15118 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 5/20 0.57
RAB9A P51151 3/20 0.57
NPBWR1 P48145 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
RIPK1 Q13546 2/20 0.47
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 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
SCHEMBL1465536 0.88 CYP19A1 (1.00) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL30054382 0.88 CYP19A1 (1.00) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL10173064 0.85 MAPT (0.59) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL5635182 0.83 NPC1 (0.73) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL14904717 0.82 CYP19A1 (0.69) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL8746891 0.81 GRIA1 (0.54) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL8243390 0.80 NPC1 (1.00) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL4867874 0.79 MMP13 (0.59) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL15481663 0.79 ALDH1A1 (0.55) CYP19A1NPC1MEN1KMT2APOLB
SCHEMBL4876408 0.79 CASP3 (0.68) CYP19A1NPC1MEN1KMT2APOLB

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 17 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
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
CN-101420950-B Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2012-04-18 CN 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
CN-101678107-A Pharmaceutical composition for treating Duchenne muscular dystrophy SUMMIT CORP PLC 2010-03-24 CN disclosed
CN-101420950-A Treatment of Duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN 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
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 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 CYP19A1 2465/4885NPC1 2477/4885MEN1 3365/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 CYP19A1 2465/4885NPC1 2477/4885MEN1 3365/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 CYP19A1 1127/4885NPC1 3637/4885MEN1 3847/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 CYP19A1 1127/4885NPC1 3637/4885MEN1 3847/4885

“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.