SCHEMBL2244388

SCHEMBL2244388

COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 11/20 0.81
▸ NPC1 O15118 9/20 0.81
▸ RAB9A P51151 8/20 0.81
▸ MAPT P10636 7/20 0.81
▸ SMN1; SMN2 Q16637 6/20 0.81
▸ HTT P42858 4/20 0.81
▸ MEN1 O00255 3/20 0.81
▸ NFKB1 P19838 3/20 0.81
▸ NFKB2 Q00653 3/20 0.81
▸ KMT2A Q03164 3/20 0.81
▸ RELA Q04206 3/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ LMNA P02545 2/20 0.81
▸ GAA P10253 1/20 0.81
▸ STAT1 P42224 1/20 0.81
▸ SAE1 Q9UBE0 1/20 0.81
▸ UBA2 Q9UBT2 1/20 0.81
▸ MMP2 P08253 3/20 0.61
▸ MMP9 P14780 3/20 0.61
▸ MMP8 P22894 3/20 0.61

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
SCHEMBL6324182 0.92 NPBWR1 (0.73) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5566197 0.88 NPC1 (0.78) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL465462 0.86 NPBWR1 (0.61) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17255153 0.85 RAB9A (0.61) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13856173 0.85 NPBWR1 (0.80) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31060181 0.85 CHEK2 (0.82) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2244677 0.85 NPBWR1 (0.60) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6324185 0.85 NPBWR1 (0.86) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12470997 0.84 NPBWR1 (0.82) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28483088 0.83 NPC1 (0.71) NPBWR1NPC1RAB9AMAPTSMN1; 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 13 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 — — US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 — — US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 — — US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 — — US 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 (6 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR NPBWR1 1705/4885NPC1 3522/4885RAB9A 3882/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 NPBWR1 2640/4885NPC1 2477/4885RAB9A 3748/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPBWR1 2640/4885NPC1 2477/4885RAB9A 3748/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD NPBWR1 1193/4885NPC1 3207/4885RAB9A 4420/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPBWR1 146/4885NPC1 3637/4885RAB9A 4325/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPBWR1 146/4885NPC1 3637/4885RAB9A 4325/4885

“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.

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