SCHEMBL2248581

SCHEMBL2248581

c1csc(-c2nc3cc4ccccc4cc3[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.69
HPGD P15428 9/20 0.69
ALDH1A1 P00352 9/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
HSD17B10 Q99714 3/20 0.69
MAPT P10636 8/20 0.64
TP53 P04637 3/20 0.64
GAA P10253 3/20 0.64
GLA P06280 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
RPS6KB2 Q9UBS0 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PPARG P37231 1/20 0.55

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
SCHEMBL11831782 0.83 NPC1 (0.62) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL2249384 0.81 ALDH1A1 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL28002399 0.80 ALDH1A1 (0.97) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL1898900 0.79 NPC1 (0.72) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL1391679 0.78 KDM4E (0.78) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL12082222 0.78 RAB9A (0.69) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6420845 0.78 ALDH1A1 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL1544650 0.78 ALDH1A1 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL28601354 0.78 ALDH1A1 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL16498433 0.76 ALDH1A1 (0.57) KDM4EHPGDALDH1A1SMN1; SMN2NPC1

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-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
CN-101420950-B Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2012-04-18 CN disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
CN-101678107-A Pharmaceutical composition for treating Duchenne muscular dystrophy SUMMIT CORP PLC 2010-03-24 CN disclosed
CN-101420950-A Treatment of Duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN 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 KDM4E 3311/4885HPGD 266/4885ALDH1A1 1203/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 KDM4E 3311/4885HPGD 266/4885ALDH1A1 1203/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 KDM4E 2080/4885HPGD 2753/4885ALDH1A1 1652/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 KDM4E 2080/4885HPGD 2753/4885ALDH1A1 1652/4885

“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.