SCHEMBL2242175

SCHEMBL2242175

CC(C)(C)c1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
GFER P55789 2/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
KDM4E B2RXH2 4/20 0.65
POLB P06746 3/20 0.65
HPGD P15428 3/20 0.65
CASP3 P42574 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
SENP8 Q96LD8 1/20 0.65
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 4/20 0.53
TP53 P04637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
PTPN2 P17706 7/20 0.50

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
SCHEMBL29819658 1.00 NPC1 (0.65) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL29819557 1.00 NPC1 (0.65) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL3288218 0.97 NPC1 (0.66) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL14947174 0.92 NPC1 (0.75) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL24295191 0.91 SMN1; SMN2 (0.65) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL15745637 0.90 NPC1 (0.73) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL3288472 0.90 NPC1 (0.78) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL8345323 0.89 NPC1 (0.57) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL11134813 0.89 NPC1 (0.57) NPC1RAB9AGFERSMN1; SMN2KDM4E
SCHEMBL29881441 0.89 NPC1 (0.57) NPC1RAB9AGFERSMN1; SMN2KDM4E

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 59 patents — showing the first 20. 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
CN-114957152-B Synthesis method of benzoxazole compound 湖南第一师范学院 2023-11-17 CN disclosed
CN-114957152-A Synthetic method of benzoxazole compound 湖南第一师范学院 2022-08-30 CN disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-9856208-B2 Method for producing an arene with an aromatic C—N bond ortho to an aromatic C—O bond THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-01-02 US disclosed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 US disclosed
US-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 US disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 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
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed
EP-1032850-B1 SELF-SCINTILLATING SHEET MATERIAL FOR RADIOACTIVE SPECIES ANALYSIS MINNESOTA MINING & MFG (US) 2003-12-17 EP disclosed
EP-1183554-A1 IN-SITU RADIOACTIVITY DETECTION 3M Innovative Properties Company (US) 2002-03-06 EP disclosed
WO-2000077545-A1 IN-SITU RADIOACTIVITY DETECTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO disclosed
US-6139749-A CONTACTING ENVIRONMENTAL FLUID WITH COMPOSITE SHEET MATERIAL COMPRISING SEPARATORS AND SCINTILLATORS ENTRAPPED IN POROUS MATRIX OR MEMBRANE 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US 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 (7 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 28/4885RAB9A 2557/4885GFER 1034/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885GFER 4513/4885
US-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND AOX1, NOX4, NOXO1 NPC1 1680/4885RAB9A 769/4885GFER 1057/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NPC1 29/4885RAB9A 2302/4885GFER 1096/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NPC1 28/4885RAB9A 2557/4885GFER 1034/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 28/4885RAB9A 2557/4885GFER 1034/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 NPC1 38/4885RAB9A 1885/4885GFER 962/4885

“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.