SCHEMBL2096941

SCHEMBL2096941

[O]c1ncccc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PIM1 P11309 3/20 0.47
PIM3 Q86V86 2/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 2/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL1851533 0.98 MAPT (0.45) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL15275375 0.77 GAA (0.50) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL28265996 0.77 GAA (0.54) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL2096944 0.77 PIM1 (0.50) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL5067333 0.77 KEAP1 (0.55) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL14659450 0.77 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL8601978 0.77 KEAP1 (0.46) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL17007157 0.75 PIM1 (0.56) CYP1A2CYP2C9CYP2C19PIM1PIM3
SCHEMBL25337994 0.74 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL29118465 0.74 KEAP1 (0.52) CYP1A2CYP2C9CYP2C19PIM1PIM3

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 CYP1A2 420/4885CYP2C9 2206/4885CYP2C19 1894/4885

“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.