SCHEMBL2244601

SCHEMBL2244601

CC(=O)Nc1ccc(-c2nc3cc(Br)ccc3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
CASP3 P42574 4/20 0.73
SENP7 Q9BQF6 4/20 0.73
POLB P06746 3/20 0.73
TDP1 Q9NUW8 1/20 0.73
SENP8 Q96LD8 2/20 0.70
SENP6 Q9GZR1 2/20 0.70
SMN1; SMN2 Q16637 5/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TP53 P04637 4/20 0.65
MAPT P10636 7/20 0.65
UTRN P46939 1/20 0.63
CETP P11597 1/20 0.61
CEPT1 Q9Y6K0 1/20 0.61
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60

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
SCHEMBL2244809 0.89 NPC1 (0.85) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2241942 0.86 NPC1 (0.75) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2245090 0.85 CASP3 (1.00) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2426284 0.83 HDAC6 (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2246641 0.82 NPC1 (0.86) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2246476 0.82 NPC1 (0.86) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2243174 0.82 NPC1 (1.00) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2245239 0.81 NPC1 (0.80) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2247579 0.81 RAB9A (1.00) NPC1RAB9ACASP3SENP7POLB
SCHEMBL2240398 0.81 MAPT (0.65) RAB9APOLBTDP1SMN1; SMN2KDM4E

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 3748/4885CASP3 4141/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885CASP3 4141/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885CASP3 2481/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885CASP3 2481/4885

“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.