SCHEMBL2098341

SCHEMBL2098341

[O]c1cccc2nc(N3CCC(Cc4cccc(Cl)c4)CC3)sc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
ACP1 P24666 2/20 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
SCHEMBL2098344 0.88 MAPT (0.46) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL27644341 0.84 RAB9A (0.55) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL2096670 0.83 MEN1 (0.54) MAPTALDH1A1KDM4EPIK3CDPIK3CB
SCHEMBL2096103 0.79 SCD (0.42) MAPTALDH1A1PPARGPPARDPPARA
SCHEMBL2096689 0.72 CYP2D6 (0.39) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL27644559 0.72 KDM4E (0.52) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL2093357 0.72 MAPT (0.46) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL2090658 0.72 MAPT (0.46) MAPTALDH1A1KDM4EGAAPPARG
SCHEMBL2093094 0.71 NPC1 (0.43) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL27645193 0.71 RAB9A (0.55) MAPTALDH1A1KDM4EGAAMEN1

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 4299/4885ALDH1A1 412/4885KDM4E 4578/4885

“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.