SCHEMBL2246136

SCHEMBL2246136

COc1ccc(-c2nc3cc(C)ccc3o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
TP53 P04637 7/20 0.78
HPGD P15428 6/20 0.78
HSD17B10 Q99714 5/20 0.78
NFKB1 P19838 5/20 0.78
NFKB2 Q00653 5/20 0.78
RELA Q04206 5/20 0.78
L3MBTL1 Q9Y468 3/20 0.78
RAB9A P51151 8/20 0.77
NPC1 O15118 7/20 0.77
KDM4E B2RXH2 7/20 0.77
GLA P06280 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ALOX5 P09917 1/20 0.70
POLB P06746 2/20 0.68
CASP3 P42574 2/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP7 Q9BQF6 2/20 0.68
SENP6 Q9GZR1 2/20 0.68

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
SCHEMBL29460440 1.00 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL2242725 0.91 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL11828034 0.91 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL12639220 0.89 NPC1 (0.68) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL5226589 0.89 NPC1 (0.68) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL14947173 0.89 ALDH1A1 (0.96) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL11561164 0.88 NPC1 (0.68) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL3288386 0.87 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL15047797 0.87 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10
SCHEMBL12639218 0.84 MAPT (0.62) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10

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
CN-113264895-B Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2022-03-25 CN disclosed
CN-113264895-A Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2021-08-17 CN disclosed
CN-106674145-B The preparation method of 2- aryl benzoxazoles, 2- aryl benzothiazole compound 复旦大学 2019-11-12 CN disclosed
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 ALDH1A1 1203/4885SMN1; SMN2 4/4885TP53 4868/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885SMN1; SMN2 4/4885TP53 4868/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885SMN1; SMN2 9/4885TP53 4599/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885SMN1; SMN2 9/4885TP53 4599/4885

“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.