SCHEMBL2085641

SCHEMBL2085641

[CH2]Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
CYP2C19 P33261 1/20 0.67
PTGS2 P35354 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HIF1A Q16665 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
MAOB P27338 4/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
MAOA P21397 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
BCHE P06276 1/20 0.60
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58

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
SCHEMBL339813 0.89 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2089434 0.85 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL22499954 0.84 LMNA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.84 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.84 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2093453 0.83 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL94338 0.83 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5538712 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9808056 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL197017 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
CN-101516826-B Beta-3 receptor ligands UNIV BARI 2015-03-04 CN 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-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
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
US-5723489-A ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-03-03 US disclosed
CN-1161690-A Substituted pyridines, their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-08 CN disclosed
US-5021566-A Carbapenicillins; preservatives; antiseptics; grampositive and gram negative bacteria MERCK & CO. INC. (US) 1991-06-04 US disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4150156-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4123528-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 LMNA 4594/4885CYP1A2 420/4885PTGS1 2872/4885

“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.