SCHEMBL2091271

SCHEMBL2091271

Cc1cccc(C)c1/C=C/C[O]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
RAF1 P04049 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CXCR5 P32302 2/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
G6PD P11413 1/20 0.31
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30

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
SCHEMBL2091272 1.00 CYP1A2 (0.35) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL2092206 0.80 ALDH1A1 (0.37) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL23183088 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL8845067 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL8845065 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL294610 0.77 CYP2A6 (0.35) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL294609 0.77 CYP2A6 (0.35) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL6575616 0.77 CYP1A2 (0.35) CYP1A2CYP2A6RAF1ALDH1A1CXCR5
SCHEMBL2092412 0.77 ABCB1 (0.36) CA1CA2
SCHEMBL2092410 0.77 ABCB1 (0.36) CA1CA2

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 CYP1A2 420/4885CYP2A6 1153/4885RAF1 2823/4885

“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.