SCHEMBL2243553

SCHEMBL2243553

CCCc1ccc(-c2nc3ccc(-c4nc5ccc(C(=O)O)cc5o4)cc3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
MAOA P21397 1/20 0.57
CNR1 P21554 1/20 0.57
DRD1 P21728 1/20 0.57
OPRD1 P41143 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57
GPR119 Q8TDV5 4/20 0.53
HDAC6 Q9UBN7 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL2244740 0.98 TTR (0.60) TTRALBMAOACNR1DRD1
SCHEMBL2249412 0.88 RAB9A (0.53) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14756113 0.83 RARB (0.55) TTRALBMAOACNR1DRD1
SCHEMBL31261529 0.81 TTR (0.67) TTRALBMAOACNR1DRD1
SCHEMBL13568645 0.80 TTR (0.58) TTRALBMAOACNR1DRD1
SCHEMBL1675290 0.79 TTR (0.68) TTRALBMAOACNR1DRD1
SCHEMBL121966 0.79 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL29784233 0.79 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL20898024 0.78 HDAC6 (0.74) TTRALBMAOACNR1DRD1
SCHEMBL20897612 0.78 MAOA (0.80) TTRALBMAOACNR1DRD1

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
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
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 TTR 148/4885ALB 2174/4885MAOA 1219/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 TTR 148/4885ALB 2174/4885MAOA 1219/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 TTR 1862/4885ALB 3439/4885MAOA 2327/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 TTR 1862/4885ALB 3439/4885MAOA 2327/4885

“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.