SCHEMBL2096519

SCHEMBL2096519

COc1c(-c2ccno2)cc(-c2ccno2)cc1-c1ccno1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.41
AR P10275 1/20 0.36
RAB9A P51151 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
BRD4 O60885 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2089963 0.79 AAK1 (0.44) EPHX2NOTUMKDM4EALDH1A1GAA
SCHEMBL31063350 0.76 NOTUM (0.38) EPHX2NOTUMKDM4EALDH1A1GAA
SCHEMBL31063408 0.73 MAPT (0.36) EPHX2NOTUMKDM4EALDH1A1GAA
SCHEMBL2089962 0.72 NOTUM (0.44) EPHX2NOTUMKDM4EALDH1A1GAA
SCHEMBL2090455 0.72 CYP1A2 (0.62) NOTUMKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30238219 0.70 CYP1A2 (0.64) NOTUMKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28329742 0.70 CYP1A2 (0.64) NOTUMKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9289178 0.69 ACHE (0.46) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9768763 0.69 NOTUM (0.77) EPHX2NOTUMKDM4EALDH1A1GAA
SCHEMBL20507139 0.69 NOTUM (0.52) EPHX2NOTUMKDM4EALDH1A1GAA

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 EPHX2 3472/4885NOTUM 4043/4885KDM4E 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.