SCHEMBL2094191

SCHEMBL2094191

[O]c1c(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
NMT1 P30419 1/20 0.39
EPHX2 P34913 2/20 0.38
GRM2 Q14416 1/20 0.38
DDR1 Q08345 2/20 0.38
CCR2 P41597 1/20 0.38
ENPP2 Q13822 2/20 0.38
CHRM4 P08173 1/20 0.38
IDO1 P14902 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CHRM2 P08172 1/20 0.36
ACVR1 Q04771 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2096713 0.85 CHRM4 (0.46) EPHX2CHRM4IDO1PDE3BPDE3A
SCHEMBL27665910 0.78 MET (0.45) CCR5CHRM4CRHBPCRHR2CHRM2
SCHEMBL27645182 0.72 NMT1 (0.44) NMT1GRM2CHRM4
SCHEMBL27666211 0.72 NMT1 (0.44) NMT1GRM2CHRM4
SCHEMBL2088515 0.72 NTRK1 (0.38) CCR5EPHX2GRM2CCR2CHRM4
SCHEMBL2098336 0.71 ACVR1 (0.38) DDR1ENPP2CHRM4CRHBPCRHR2
SCHEMBL2089773 0.71 CHRM4 (0.40) EPHX2CHRM4CHRM2
SCHEMBL2090670 0.70 KCNN4 (0.43) EPHX2CHRM4CHRM2
SCHEMBL18280128 0.70 ALDH1A1 (0.49) CCR5GRM2CCR2CHRM4
SCHEMBL2093517 0.69 ACP1 (0.43)

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 CCR5 719/4885NMT1 1009/4885EPHX2 3472/4885

“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.