SCHEMBL2244438

SCHEMBL2244438

Clc1ccc(-c2nc3cc(-c4ccc(N5CCOCC5)cc4)ccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ PARP3 Q9Y6F1 1/20 0.51
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ MAPKAPK2 P49137 1/20 0.48
▸ PRKDC P78527 1/20 0.47

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
SCHEMBL2244482 0.85 HDAC6 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2247599 0.83 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2244236 0.82 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9112458 0.82 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL38661261 0.80 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2243994 0.78 SMN1; SMN2 (0.79) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1675427 0.78 HDAC6 (0.59) LMNAPARP3PIK3CAHDAC6MAPT
SCHEMBL2247126 0.77 RAB9A (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2251048 0.77 RAB9A (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2249941 0.73 RAB9A (0.68) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 NPC1 2477/4885RAB9A 3748/4885KDM4E 3311/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885KDM4E 3311/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885KDM4E 2080/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885KDM4E 2080/4885

“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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