SCHEMBL2245449

SCHEMBL2245449

O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
KDM4E B2RXH2 12/20 1.00
HPGD P15428 9/20 1.00
HSD17B10 Q99714 8/20 1.00
POLB P06746 6/20 1.00
USP2 O75604 2/20 1.00
ESR1 P03372 1/20 1.00
PPARG P37231 2/20 0.79
NR2E3 Q9Y5X4 2/20 0.79
NCOR2 Q9Y618 2/20 0.79
RAB9A P51151 6/20 0.76
NPC1 O15118 5/20 0.76
SMN1; SMN2 Q16637 5/20 0.73
TP53 P04637 2/20 0.71
TSHR P16473 1/20 0.71
GLA P06280 1/20 0.70
MAPT P10636 6/20 0.69
NPSR1 Q6W5P4 2/20 0.67
PTK2B Q14289 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL2246316 0.90 ALDH1A1 (0.87) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2242436 0.90 KDM4E (0.81) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2244900 0.86 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL29000625 0.86 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL30400995 0.85 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL30427134 0.85 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL17544357 0.85 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL17544198 0.85 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19307177 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2244090 0.84 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP claimed
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
EP-2170396-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-07 EP 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

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 ALDH1A1 1203/4885KDM4E 3311/4885HPGD 266/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885KDM4E 3311/4885HPGD 266/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885HPGD 2753/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885HPGD 2753/4885

“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.