SCHEMBL2242550

SCHEMBL2242550

Nc1cc2oc(-c3ccc4c(c3)OCO4)nc2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ ESR1 P03372 5/20 0.45
▸ ESR2 Q92731 5/20 0.45
▸ SRC P12931 1/20 0.45
▸ HPGD P15428 4/20 0.44
▸ ALOX15 P16050 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ TP53 P04637 2/20 0.41

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
SCHEMBL11746959 0.82 ESR2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2247861 0.80 RAB9A (0.66) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2245534 0.80 HDAC6 (0.50) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11748987 0.79 RAB9A (0.64) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2245349 0.76 HDAC6 (0.53) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2248043 0.75 KDM4E (0.52) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20974028 0.75 KDM4E (0.63) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5835014 0.74 HPSE (0.56) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2244339 0.73 RAB9A (0.68) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1675359 0.71 HDAC6 (0.63) HDAC6SMN1; SMN2NPC1KDM4EALDH1A1

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 10 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
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 HDAC6 97/4885SMN1; SMN2 4/4885NPC1 2477/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 HDAC6 97/4885SMN1; SMN2 4/4885NPC1 2477/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 HDAC6 825/4885SMN1; SMN2 9/4885NPC1 3637/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 HDAC6 825/4885SMN1; SMN2 9/4885NPC1 3637/4885

“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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