SCHEMBL2095065

SCHEMBL2095065

C=CCc1cc(OC)cc(CC=C)c1CC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 4/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 2/20 0.45
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ALOX5 P09917 2/20 0.38
GABRA1 P14867 1/20 0.38
CNR2 P34972 1/20 0.38
GABRB2 P47870 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL9247341 0.83 POLB (0.46) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL10427944 0.82 CYP3A4 (0.47) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL2095063 0.81 GABRA1 (0.35) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL1931659 0.79 POLB (0.53) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL2096402 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL21409563 0.76 ALOX5 (0.45) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL2848289 0.75 ALOX5 (0.56) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL1514243 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL7791638 0.73 MAPT (0.54) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL9349817 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4ALOX15SMN1; SMN2TP53

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 ALDH1A1 412/4885CYP3A4 1734/4885ALOX15 2776/4885

“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.