SCHEMBL2091744

SCHEMBL2091744

[O]c1cccc2nc(N3CCC(Nc4ccccc4C(F)(F)F)CC3)sc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.49
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CD O00329 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
PIK3CA P42336 3/20 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
SCHEMBL2095589 0.85 SCD (0.45) SCDMAPTNPC1RAB9A
SCHEMBL2093094 0.84 NPC1 (0.43) SCDPOLBMAPTNPC1RAB9A
SCHEMBL2096152 0.84 SCD (0.44) SCDMAPTNPC1RAB9A
SCHEMBL2092534 0.81 SCD (0.48) SCDPOLBMAPTNPC1RAB9A
SCHEMBL2096199 0.79 SMN1; SMN2 (0.46) SCDMAPTNPC1RAB9A
SCHEMBL6003008 0.78 SCD (0.50) SCDMAPT
SCHEMBL2095474 0.77 RAB9A (0.38) SCDMAPTNPC1RAB9A
SCHEMBL2094618 0.75 MAPT (0.46) MAPTNPC1RAB9A
SCHEMBL2093442 0.74 SCD (0.52) SCDPOLBMAPT
SCHEMBL2090772 0.73 NPC1 (0.41) SCDPOLBMAPTNPC1RAB9A

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 SCD 3633/4885POLB 757/4885MAPT 4299/4885

“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.