SCHEMBL2092494

SCHEMBL2092494

[CH2]c1cccc(-c2ccc(OC)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.46
▸ PTGS1 P23219 3/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ KMO O15229 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL12326172 0.83 PTGS2 (0.53) PTGS2PTGS1ADORA2AADORA1KMO
SCHEMBL403698 0.82 ADORA2A (0.55) PTGS2PTGS1ADORA2AADORA1KMO
SCHEMBL29375895 0.82 ADORA2A (0.55) PTGS2PTGS1ADORA2AADORA1KMO
SCHEMBL21116012 0.79 ADORA2A (0.50) PTGS2PTGS1ADORA2AADORA1ALDH1A1
SCHEMBL96147 0.79 RAB9A (0.45) PTGS2ALDH1A1MAPTALOX15RAB9A
SCHEMBL18015828 0.77 BCL2 (0.46) PTGS2PTGS1ADORA2AADORA1ALDH1A1
SCHEMBL4454422 0.76 AHR (0.56) PTGS2PTGS1ADORA2AADORA1KMO
SCHEMBL23296172 0.74 PDE4A (0.59) KMORAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8044560 0.74 PTGS2 (0.66) PTGS2PTGS1SMN1; SMN2LMNA
SCHEMBL12603887 0.74 TAS1R3 (0.49) PTGS2PTGS1KMOALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTGS2 1591/4885PTGS1 2872/4885ADORA2A 1493/4885

“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.

Send feedback