SCHEMBL919529

SCHEMBL919529

NC(=O)C1=Cc2ccccc2OCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
NOTUM Q6P988 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL913383 0.85 ALOX5 (0.49) ALOX5NOTUMSMN1; SMN2NPC1RAB9A
SCHEMBL913983 0.83 SMN1; SMN2 (0.49) ALOX5NOTUMSMN1; SMN2NPC1RAB9A
SCHEMBL31560392 0.83 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL545827 0.83 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL914240 0.80 CA12 (0.59) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5546808 0.76 ALOX5 (0.48) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7386129 0.76 ALOX5 (0.40) ALOX5SMN1; SMN2NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL16669663 0.74 ALOX5 (0.52) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7386131 0.73 MAOB (0.35) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9058393 0.72 ALOX5 (0.67) ALOX5SMN1; SMN2NPC1RAB9AMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101959879-B 5-oxo-2, 3,4, 5-tetrahydro-benzo [ B ] oxa-4-carboxylic acid amides and 2, 3-dihydro-benzo [ B ] oxa-4-carboxylic acid amides for the treatment and prevention of type 1 and type 2 diabetes MERCK PATENT GMBH (DE) 2014-10-01 CN disclosed
EP-2247587-B1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8383838-B2 5-oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of diabetes typ 1 and 2 MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-26 US disclosed
US-8383838-B2 5-oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of diabetes typ 1 and 2 MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-26 US disclosed
US-20110009455-A1 5-Oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-Dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of Diabetes Typ 1 and 2 MERCK PATENT GESELLSCHAFT (DE) 2011-01-13 US disclosed
US-20110009455-A1 5-Oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-Dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of Diabetes Typ 1 and 2 MERCK PATENT GESELLSCHAFT (DE) 2011-01-13 US disclosed
EP-2247587-A1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 Merck Patent GmbH (DE) 2010-11-10 EP disclosed
WO-2009109270-A1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed
EP-1104416-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS Takeda Chemical Industries, Ltd. (JP) 2001-06-06 EP disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-2000010965-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-02 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 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 (1 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-20110009455-A1 5-Oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-Dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of Diabetes Typ 1 and 2 GPR119, HK1, GCKR ALOX5 383/4885NOTUM 1767/4885SMN1; SMN2 4124/4885

“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.