SCHEMBL2096152

SCHEMBL2096152

[O]c1cccc2nc(N3CCC(Nc4ccccc4OC(F)(F)C(F)(F)F)CC3)sc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.44
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PIM1 P11309 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NAAA Q02083 1/20 0.33
ALOX15 P16050 1/20 0.32

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 0.93 SCD (0.45) SCDRAB9ANPC1PIM1SMN1; SMN2
SCHEMBL27665990 0.87 SCD (0.41) SCDRAB9ANPC1PIM1SMN1; SMN2
SCHEMBL2091744 0.84 SCD (0.49) SCDRAB9ANPC1MAPT
SCHEMBL2093094 0.80 NPC1 (0.43) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27644472 0.77 SCD (0.53) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2096199 0.77 SMN1; SMN2 (0.46) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5539021 0.75 SCD (0.37) SCDMAPTTP53TSHRALOX15
SCHEMBL2095474 0.73 RAB9A (0.38) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2094407 0.73 PSEN1 (0.36) SCDPIM1TP53TSHRALOX15
SCHEMBL2094618 0.71 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 3633/4885RAB9A 3153/4885NPC1 3130/4885

“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.