SCHEMBL2245104

SCHEMBL2245104

CCCCNc1ccc2oc(-c3ccc(C)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 11/20 0.59
HPGD P15428 9/20 0.59
HSD17B10 Q99714 8/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
TP53 P04637 7/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
MAPT P10636 5/20 0.59
TSHR P16473 2/20 0.59
USP2 O75604 1/20 0.59
XBP1 P17861 1/20 0.57
CASP3 P42574 3/20 0.57
SENP8 Q96LD8 3/20 0.57
SENP7 Q9BQF6 3/20 0.57
SENP6 Q9GZR1 3/20 0.57
PTPN5 P54829 3/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PTPN2 P17706 2/20 0.56

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
SCHEMBL2243278 0.89 CASP3 (0.63) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2240267 0.89 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2242651 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2247278 0.80 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2247274 0.79 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2246669 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2244935 0.78 TP53 (0.58) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL11342189 0.78 ABL1 (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2245164 0.77 PTPN5 (0.89) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2245659 0.77 ALDH1A1 (0.87) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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 12 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
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 ALDH1A1 1203/4885KDM4E 3311/4885HPGD 266/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885KDM4E 3311/4885HPGD 266/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885HPGD 2753/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885HPGD 2753/4885

“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.