SCHEMBL2097709

SCHEMBL2097709

OCCCCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
MAOB P27338 1/20 0.51
AOC3 Q16853 1/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NR4A2 P43354 1/20 0.49
MCL1 Q07820 1/20 0.48
PDK2 Q15119 1/20 0.48

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
SCHEMBL2091178 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL7774045 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL2089596 0.95 L3MBTL1 (0.57) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL585718 0.90 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL7199882 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL10458221 0.84 L3MBTL1 (0.60) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL7199868 0.83 L3MBTL1 (0.56) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL8188767 0.83 L3MBTL1 (0.56) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL22221774 0.83 L3MBTL1 (0.64) L3MBTL1KDM4EALDH1A1GAAUSP2
SCHEMBL2097708 0.83 L3MBTL1 (0.56) L3MBTL1KDM4EMRGPRX4MAOBAOC3

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 4 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
WO-2000003596-A1 UTILIZATION OF SUBSTITUTED O-ALKYL-CARBAMATES FOR COMBATING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 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 L3MBTL1 2575/4885KDM4E 4578/4885MRGPRX4 2959/4885

“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.