SCHEMBL2089084

SCHEMBL2089084

CNc1cccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PABPC1 P11940 1/20 0.46
APP P05067 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL28179996 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL15127718 0.81 L3MBTL1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL28341328 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL2089081 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL8029352 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL28150154 0.81 BRD4 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1
SCHEMBL2093095 0.80 APP (0.42) SMN1; SMN2APPALDH1A1KDM4ETSHR
SCHEMBL29636384 0.79 CA1 (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1APP
SCHEMBL360496 0.79 CA1 (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1APP
Bromide SCHEMBL20984396 0.79 L3MBTL1 (0.44) SMN1; SMN2NPC1RAB9AL3MBTL1PABPC1

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
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP 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 (2 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SMN1; SMN2 3787/4885NPC1 3130/4885RAB9A 3153/4885
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO SMN1; SMN2 4712/4885NPC1 3654/4885RAB9A 3041/4885

“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.