SCHEMBL2096944

SCHEMBL2096944

Oc1ncccc1N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.50
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
PIM3 Q86V86 2/20 0.47
KEAP1 Q14145 1/20 0.46
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.42
PIM2 Q9P1W9 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL26599851 0.81 HTR2A (0.61) ALDH1A1KDM4E
SCHEMBL17831308 0.79 CHKA (0.48) GAAHTTMAPTNPC1KDM4E
SCHEMBL14659450 0.77 CYP1A2 (0.47) PIM1GAAHTTPIM3KEAP1
SCHEMBL2096941 0.77 CYP1A2 (0.47) PIM1GAAHTTPIM3KEAP1
SCHEMBL15275375 0.77 GAA (0.50) PIM1GAAPIM3KEAP1CYP2C19
SCHEMBL5067333 0.77 KEAP1 (0.55) PIM1GAAHTTPIM3KEAP1
SCHEMBL8601978 0.77 KEAP1 (0.46) PIM1GAAPIM3KEAP1CYP2C19
SCHEMBL28265996 0.77 GAA (0.54) PIM1GAAPIM3KEAP1CYP2C19
SCHEMBL2084723 0.77 KEAP1 (0.46) PIM1GAAPIM3KEAP1CYP2C19
SCHEMBL17007157 0.75 PIM1 (0.56) PIM1GAAPIM3CYP2C19MAPK1

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 3 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

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 PIM1 3429/4885GAA 3982/4885HTT 4689/4885

“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.