SCHEMBL2088526

SCHEMBL2088526

COCC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ HPGD P15428 6/20 0.63
▸ MAPT P10636 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ MDH1 P40925 1/20 0.59
▸ MDH2 P40926 1/20 0.59
▸ EPHX2 P34913 1/20 0.58
▸ RHOC P08134 1/20 0.57
▸ RHOA P61586 1/20 0.57
▸ RAB9A P51151 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2C19 P33261 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL14962804 0.86 HPGD (0.81) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL13483898 0.85 HPGD (0.65) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL2088523 0.83 EPHX2 (0.58) SMN1; SMN2ALDH1A1MAPTHTTMDH1
SCHEMBL5142584 0.82 EPHX2 (0.70) SMN1; SMN2ALDH1A1HTTEPHX2RAB9A
SCHEMBL2056170 0.81 EPHX2 (0.63) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL2090981 0.81 KMT2A (0.66) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL1801933 0.79 EPHX2 (0.61) ALDH1A1MAPTHTTEPHX2RAB9A
Hydrochloric Acid SCHEMBL5797266 0.79 ALDH1A1 (0.96) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL2091167 0.79 EPHX2 (0.66) SMN1; SMN2ALDH1A1HPGDHTTEPHX2
SCHEMBL2094723 0.79 EPHX2 (0.66) SMN1; SMN2ALDH1A1HTTEPHX2RAB9A

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 SMN1; SMN2 3787/4885ALDH1A1 412/4885HPGD 1951/4885

“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.

Send feedback