SCHEMBL2245678

SCHEMBL2245678

Clc1ccc(-c2nc3cc(CN4CCCCC4)ccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ HDAC6 Q9UBN7 1/20 0.64
▸ DRD4 P21917 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ GPR119 Q8TDV5 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL19029290 0.79 HDAC6 (0.98) NPC1RAB9AHDAC6
SCHEMBL21352568 0.78 HDAC6 (1.00) NPC1RAB9AHDAC6
SCHEMBL2586786 0.78 NPC1 (0.64) NPC1RAB9AHDAC6GPR119
SCHEMBL11310904 0.78 NPC1 (0.74) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2247599 0.77 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9112458 0.76 NPC1 (0.61) NPC1RAB9AHDAC6KDM4EALDH1A1
SCHEMBL5049055 0.76 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL5051367 0.76 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL11610713 0.75 ALDH1A1 (0.88) KDM4EALDH1A1
SCHEMBL29829612 0.74 CD274 (0.68) NPC1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 3748/4885HDAC6 97/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885HDAC6 97/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885HDAC6 825/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885HDAC6 825/4885

“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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