SCHEMBL2245457

SCHEMBL2245457

CCCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.58
MMP9 P14780 6/20 0.58
MMP8 P22894 6/20 0.58
MMP13 P45452 5/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
MMP3 P08254 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL14432228 0.90 HPSE (0.62) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL2245599 0.89 EGFR (0.64) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL4496830 0.89 PTPRC (0.53) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL2242093 0.88 KDR (0.59) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL15702615 0.86 MMP2 (0.61) MMP2MMP9MMP8MMP13PKM
SCHEMBL5188247 0.83 HPSE (0.58) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL15705308 0.83 PKM (0.66) MMP2MMP9MMP8MMP13PKM
SCHEMBL13375027 0.82 PDPK1 (0.57)
SCHEMBL5189432 0.82 DGAT1 (0.59) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL8768635 0.81 MMP2 (0.65) MMP2MMP9MMP8MMP13KDM4E

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 13 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
EP-2170396-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-07 EP disclosed
CN-101678107-A Pharmaceutical composition for treating Duchenne muscular dystrophy SUMMIT CORP PLC 2010-03-24 CN disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
WO-2009019504-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-12 WO 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 MMP2 1625/4885MMP9 2761/4885MMP8 665/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 MMP2 1625/4885MMP9 2761/4885MMP8 665/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MMP2 2947/4885MMP9 3993/4885MMP8 1542/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MMP2 2947/4885MMP9 3993/4885MMP8 1542/4885

“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.