SCHEMBL2245376

SCHEMBL2245376

CCS(=O)(=O)c1ccc2oc(-c3ccc(N)cc3O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 9/20 0.56
NPC1 O15118 8/20 0.56
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 6/20 0.56
TP53 P04637 6/20 0.56
MEN1 O00255 5/20 0.56
GAA P10253 5/20 0.56
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
HTT P42858 2/20 0.56
UTRN P46939 3/20 0.55
CYP1A2 P05177 2/20 0.55
AHR P35869 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
LMNA P02545 1/20 0.50
MAOB P27338 1/20 0.49
SLC47A1 Q96FL8 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
SCHEMBL2245127 0.82 ESR1 (0.66) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL31410713 0.82 ESR1 (0.66) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL4498546 0.80 SMN1; SMN2 (0.77) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2244464 0.78 UTRN (0.64) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL27834930 0.76 MAPT (0.56) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL1735158 0.76 MAPT (0.58) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2245568 0.76 UTRN (0.63) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2244258 0.75 RAB9A (0.83) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2245350 0.75 UTRN (0.65) RAB9AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2243039 0.75 UTRN (0.77) RAB9AMAPTSMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP claimed
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 RAB9A 3748/4885MAPT 3113/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885MAPT 3113/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885MAPT 4858/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885MAPT 4858/4885SMN1; SMN2 9/4885

“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.