SCHEMBL2247368

SCHEMBL2247368

Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
PKM P14618 3/20 1.00
RAB9A P51151 3/20 1.00
RXFP1 Q9HBX9 2/20 1.00
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
KDM4E B2RXH2 5/20 0.61
NPC1 O15118 2/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GAA P10253 2/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
GFER P55789 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL20982597 0.84 ALDH1A1 (0.83) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL20982526 0.84 RAB9A (0.72) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL20982763 0.84 ALDH1A1 (0.72) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL16762982 0.83 ALDH1A1 (0.71) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL10986929 0.83 ALDH1A1 (0.71) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL20982760 0.82 ALDH1A1 (0.69) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL13476885 0.82 ALDH1A1 (0.69) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL31474757 0.81 ALDH1A1 (0.68) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL31474771 0.81 RAB9A (0.67) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL30120556 0.81 ALDH1A1 (0.67) ALDH1A1PKMRAB9ARXFP1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707829-A 2-Phenyl-benzo nitrogen-containing heterocyclic compound, and preparation method and application thereof 合肥大学 2025-03-28 CN disclosed
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
US-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands NATIONAL SCIENCE FOUNDATION 2005-10-27 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 (5 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 ALDH1A1 1203/4885PKM 77/4885RAB9A 3748/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885PKM 77/4885RAB9A 3748/4885
US-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands TECR, PAICS, DCXR ALDH1A1 1812/4885PKM 1047/4885RAB9A 4184/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885PKM 4444/4885RAB9A 4325/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885PKM 4444/4885RAB9A 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.