SCHEMBL2097590

SCHEMBL2097590

[CH2]COc1ccc(CC=C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
XDH P47989 1/20 0.41
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ALDH2 P05091 1/20 0.39

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
SCHEMBL7782792 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL1702567 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL627031 0.81 SMN1; SMN2 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL88416 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL437832 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9352993 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7166779 0.79 SMN1; SMN2 (0.62) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL173301 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL4707838 0.78 NQO1 (0.47) SMN1; SMN2TSHRMAPTGAAPTGS1
SCHEMBL8072799 0.78 TSHR (0.60) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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 1734/4885SMN1; SMN2 3787/4885

“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.