SCHEMBL2245102

SCHEMBL2245102

O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 1.00
RAB9A P51151 9/20 1.00
MAPT P10636 8/20 1.00
NPC1 O15118 8/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
HTT P42858 5/20 0.83
CASP3 P42574 2/20 0.83
SENP8 Q96LD8 2/20 0.83
SENP7 Q9BQF6 2/20 0.83
SENP6 Q9GZR1 2/20 0.83
MMP2 P08253 2/20 0.83
MMP9 P14780 2/20 0.83
MMP8 P22894 2/20 0.83
MMP13 P45452 1/20 0.83
MEN1 O00255 4/20 0.82
KMT2A Q03164 4/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
CHEK2 O96017 1/20 0.79
PKN1 Q16512 1/20 0.77
PKN2 Q16513 1/20 0.77

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
SCHEMBL31679090 1.00 NPBWR1 (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20982761 0.92 NPC1 (0.97) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5566191 0.91 NPC1 (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20982700 0.91 NPC1 (0.94) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL31357765 0.90 RAB9A (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28761270 0.90 RAB9A (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2308775 0.88 NPBWR1 (0.79) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1171437 0.88 NPC1 (0.82) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3183544 0.86 NPC1 (0.84) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2247663 0.86 NPBWR1 (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO 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-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 US disclosed
WO-2006076009-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP disclosed
EP-1558341-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
EP-1524974-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2005-04-27 EP disclosed
WO-2004041209-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
WO-2004001058-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2003-12-11 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 (10 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-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN NPBWR1 2746/4885RAB9A 829/4885MAPT 364/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB NPBWR1 3544/4885RAB9A 4067/4885MAPT 4415/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN NPBWR1 2746/4885RAB9A 829/4885MAPT 364/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885RAB9A 2198/4885MAPT 4542/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPBWR1 2640/4885RAB9A 3748/4885MAPT 3113/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPBWR1 1227/4885RAB9A 2068/4885MAPT 183/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B NPBWR1 1227/4885RAB9A 2068/4885MAPT 183/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN NPBWR1 3736/4885RAB9A 4484/4885MAPT 4717/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPBWR1 146/4885RAB9A 4325/4885MAPT 4858/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB NPBWR1 3544/4885RAB9A 4067/4885MAPT 4415/4885

“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.