SCHEMBL2093310

SCHEMBL2093310

[CH2]CNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
EPHX2 P34913 1/20 0.47
TGM2 P21980 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
FFAR1 O14842 1/20 0.44
CDK1 P06493 1/20 0.41
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2091179 0.84 KIF11 (0.45) KIF11EPHX2TGM2CA1CA2
SCHEMBL2098836 0.81 RHOC (0.43) KIF11EPHX2TGM2CA1CA2
SCHEMBL2090400 0.79 MEN1 (0.42) KIF11EPHX2TGM2CA1CA2
SCHEMBL2099205 0.78 HDAC1 (0.44) KIF11EPHX2TGM2CA1CA2
SCHEMBL924303 0.77 KIF11 (0.47) KIF11EPHX2TGM2CA1CA2
SCHEMBL11957891 0.77 EPHX2 (0.52) KIF11EPHX2TGM2CA1CA2
SCHEMBL5574815 0.77 KIF11 (0.52) KIF11EPHX2CA1CA2FFAR1
SCHEMBL12652046 0.77 KIF11 (0.47) KIF11EPHX2TGM2CA1CA2
SCHEMBL1797711 0.77 KIF11 (0.52) KIF11EPHX2CA1CA2FFAR1
SCHEMBL27114145 0.77 KIF11 (0.52) KIF11EPHX2TGM2CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193687-A Method for preparing sulfonyl chloride in environment-friendly mode UNIV BEIJING CHEMICAL 2013-07-10 CN disclosed
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 KIF11 3992/4885EPHX2 3472/4885TGM2 2418/4885

“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.