SCHEMBL2244126

SCHEMBL2244126

CC(C)C(=O)Nc1ccc2oc(SCc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ CASP3 P42574 2/20 0.55
▸ SENP7 Q9BQF6 2/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ THRB P10828 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ UTRN P46939 1/20 0.48

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
SCHEMBL2244502 0.88 NPSR1 (0.64) NPSR1MAPTCASP3SENP7SMN1; SMN2
SCHEMBL2243398 0.78 CASP3 (0.87) NPSR1MAPTCASP3SENP7SMN1; SMN2
SCHEMBL28874479 0.78 MAPT (0.70) NPSR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL29475972 0.78 MAPT (0.70) NPSR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL28874364 0.77 MBOAT4 (0.73) NPSR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL15214930 0.76 MAPT (0.61) NPSR1MAPTCASP3SENP7SMN1; SMN2
SCHEMBL14521787 0.75 MEN1 (0.54) NPSR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2242010 0.74 NPC1 (0.77) NPSR1MAPTCASP3SENP7SMN1; SMN2
SCHEMBL29878639 0.74 MAPT (0.58) NPSR1MAPTCASP3SENP7SMN1; SMN2
SCHEMBL28874451 0.74 MAPT (0.58) NPSR1MAPTCASP3SENP7SMN1; 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 NPSR1 2951/4885MAPT 3113/4885CASP3 4141/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPSR1 2951/4885MAPT 3113/4885CASP3 4141/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPSR1 277/4885MAPT 4858/4885CASP3 2481/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPSR1 277/4885MAPT 4858/4885CASP3 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.

Send feedback