SCHEMBL2097665

SCHEMBL2097665

COC(=O)N(C)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.46
PIK3C3 Q8NEB9 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALPL P05186 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2097663 0.85 MAPT (0.45) MAPTHTTPIK3C3CES2CES1
SCHEMBL17427750 0.83 SIRT2 (0.45) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1874194 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL7002940 0.80 FSCN1 (0.49) MAPTHTTPIK3C3CES2CES1
SCHEMBL2096358 0.80 HTT (0.46) MAPTHTTPIK3C3NPC1RAB9A
SCHEMBL2096355 0.80 HTT (0.46) MAPTHTTPIK3C3CES2CES1
SCHEMBL5317201 0.79 HTT (0.49) MAPTHTTPIK3C3CES2CES1
SCHEMBL31563031 0.76 MAPT (0.42) MAPTHTTPIK3C3NPC1RAB9A
SCHEMBL5121262 0.76 HTT (0.43) MAPTHTTPIK3C3NPC1RAB9A
SCHEMBL17427751 0.74 ROCK1 (0.42)

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 MAPT 4299/4885HTT 4689/4885PIK3C3 3967/4885

“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.