SCHEMBL2249447

SCHEMBL2249447

CC(C)(C)N(CCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.61
KDM4E B2RXH2 12/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
RAB9A P51151 5/20 0.61
POLB P06746 4/20 0.61
NPC1 O15118 4/20 0.61
HPGD P15428 11/20 0.58
HSD17B10 Q99714 9/20 0.58
CHIA Q9BZP6 1/20 0.57
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
KDR P35968 2/20 0.55
GLA P06280 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55
TP53 P04637 2/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL2246113 0.83 KDM4E (0.81) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2242703 0.81 KDM4E (0.82) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2240780 0.81 CHIA (0.79) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2242972 0.80 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2244763 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2607551 0.78 NPC1 (0.75) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2246316 0.77 ALDH1A1 (0.87) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2243174 0.77 NPC1 (1.00) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2246191 0.74 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL2244535 0.74 PARP3 (0.76) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB

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
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 ALDH1A1 1203/4885KDM4E 3311/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885KDM4E 3311/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885SMN1; 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.