SCHEMBL2096820

SCHEMBL2096820

Cc1cccc(C=CCC=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2098233 0.84 ALDH1A1 (0.56) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL2095465 0.82 ALDH1A1 (0.39) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL2095468 0.82 ALDH1A1 (0.39) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL4441030 0.80 TRPA1 (0.37) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL4318496 0.79 TRPA1 (0.46) ALDH1A1TSHRTRPA1ATMSMN1; SMN2
SCHEMBL6546426 0.79 TRPA1 (0.46) ALDH1A1TSHRTRPA1ATMSMN1; SMN2
SCHEMBL10896772 0.78 TRPA1 (0.35) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL17212928 0.78 TAAR1 (0.36) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL4630319 0.78 TRPA1 (0.35) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL27994690 0.78 TRPA1 (0.40) ALDH1A1TSHRPTGER1PTGER4PTGER3

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 412/4885TSHR 162/4885PTGER1 1469/4885

“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.