SCHEMBL2090761

SCHEMBL2090761

CCCCOc1ccc(C=CC[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.53
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ PTPN1 P18031 2/20 0.47
▸ CHRNA7 P36544 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43

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
SCHEMBL7340994 0.87 RELA (0.56) AHRABCG2MAPTALDH1A1KDM4E
SCHEMBL7293109 0.84 AHR (0.50) AHRABCG2PTPN1CHRNA7MAPT
SCHEMBL9244775 0.84 AHR (0.50) AHRABCG2PTPN1CHRNA7MAPT
SCHEMBL2089656 0.81 AHR (0.57) AHRABCG2PTPN1MAPTALDH1A1
SCHEMBL5548305 0.81 AHR (0.50) AHRABCG2PTPN1CHRNA7MAPT
SCHEMBL7340087 0.81 AHR (0.47) AHRABCG2CHRNA7TP53CHRNA10
SCHEMBL7340092 0.81 AHR (0.47) AHRABCG2CHRNA7TP53CHRNA10
SCHEMBL9915594 0.80 AHR (0.73) AHRABCG2PTPN1CHRNA7MAPT
SCHEMBL3066494 0.80 AHR (0.59) AHRABCG2PTPN1CHRNA7MAPT
SCHEMBL3066496 0.80 AHR (0.59) AHRABCG2PTPN1CHRNA7MAPT

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 AHR 1050/4885ABCG2 1163/4885PTPN1 1076/4885

“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.

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