SCHEMBL2242803

SCHEMBL2242803

CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
TP53 P04637 5/20 1.00
KDM4E B2RXH2 5/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 3/20 1.00
MAPT P10636 7/20 0.83
THRB P10828 4/20 0.74
LMNA P02545 3/20 0.74
RXFP1 Q9HBX9 2/20 0.73
CASP3 P42574 2/20 0.69
SENP8 Q96LD8 2/20 0.69
SENP7 Q9BQF6 2/20 0.69
SENP6 Q9GZR1 2/20 0.69
P2RY14 Q15391 2/20 0.66
AGPAT2 O15120 1/20 0.64
CHIA Q9BZP6 1/20 0.64
NFKB1 P19838 1/20 0.63

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
SCHEMBL2245009 0.91 KDM4E (0.84) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2245533 0.91 TP53 (1.00) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2240780 0.88 CHIA (0.79) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2244672 0.87 CASP3 (0.80) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2246140 0.84 ALDH1A1 (0.77) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2244900 0.83 KDM4E (1.00) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL3204494 0.82 NPC1 (0.70) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL2242846 0.81 CASP3 (1.00) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL28381846 0.81 P2RY14 (0.86) NPC1RAB9ATP53KDM4EHSD17B10
SCHEMBL30153394 0.81 P2RY14 (0.86) NPC1RAB9ATP53KDM4EHSD17B10

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
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP 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
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 (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 NPC1 2477/4885RAB9A 3748/4885TP53 4868/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885TP53 4868/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885TP53 4599/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885TP53 4599/4885

“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.