SCHEMBL2245490

SCHEMBL2245490

Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.69
ALDH1A1 P00352 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
HPGD P15428 5/20 0.69
HSD17B10 Q99714 4/20 0.69
GAA P10253 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
THRB P10828 2/20 0.69
TSHR P16473 1/20 0.69
RXFP1 Q9HBX9 2/20 0.62
POLB P06746 3/20 0.61
MAPT P10636 8/20 0.60
KDM4E B2RXH2 6/20 0.58
XBP1 P17861 1/20 0.58
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57

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
SCHEMBL2243229 0.89 ALDH1A1 (0.71) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2243210 0.88 MAPT (0.69) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2240275 0.85 ALDH1A1 (0.69) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2245254 0.84 ALDH1A1 (0.68) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23748364 0.83 CASP3 (0.72) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19664255 0.83 TP53 (0.70) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16217101 0.83 PTGS2 (0.78) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23748380 0.82 CASP3 (0.71) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2244672 0.82 CASP3 (0.80) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2244567 0.82 ALDH1A1 (1.00) TP53ALDH1A1SMN1; SMN2NPC1RAB9A

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 TP53 4868/4885ALDH1A1 1203/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 TP53 4868/4885ALDH1A1 1203/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 TP53 4599/4885ALDH1A1 1652/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 TP53 4599/4885ALDH1A1 1652/4885SMN1; 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.