SCHEMBL2093705

SCHEMBL2093705

[CH2]COCc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
MAOB P27338 13/20 0.50
TAAR1 Q96RJ0 1/20 0.47
MAOA P21397 2/20 0.45
NR4A2 P43354 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL28344411 0.87 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL16025993 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL16018344 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL10294624 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL16018364 0.79 IDO1 (0.55) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL13356005 0.79 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL4797676 0.79 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL3149166 0.79 IDO1 (0.54) IDO1AGXTMAOB
SCHEMBL10458364 0.78 IDO1 (0.58) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL992379 0.77 MAOB (0.70) IDO1AGXTMAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
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
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 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-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 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

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 IDO1 2665/4885AGXT 2979/4885MAOB 1654/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 IDO1 1716/4885AGXT 3155/4885MAOB 1907/4885

“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.