SCHEMBL2098336

SCHEMBL2098336

[O]c1ccnc2ccc(N3CCC(Cc4ccc(OC(F)(F)C(F)(F)F)cc4)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.38
ENPP2 Q13822 1/20 0.38
FFAR1 O14842 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALK Q9UM73 7/20 0.34
ROS1 P08922 5/20 0.34
CHRM4 P08173 2/20 0.33
DDR1 Q08345 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL2089533 0.85 CHRM4 (0.43) ACVR1FFAR1CHRM4
SCHEMBL2092251 0.78 TP53 (0.42) ENPP2ALK
SCHEMBL2093002 0.78 PRKDC (0.51) ACVR1
SCHEMBL27665910 0.75 MET (0.45) ACVR1CRHBPCRHR2CHRM4
SCHEMBL2089362 0.71 HTR6 (0.41)
SCHEMBL2094191 0.71 CCR5 (0.40) ACVR1ENPP2CRHBPCRHR2CHRM4
SCHEMBL2090964 0.68 CHRM4 (0.47) CHRM4
SCHEMBL2094804 0.68 RPS6KB1 (0.38) ALKCHRM4
SCHEMBL2093517 0.67 ACP1 (0.43)
SCHEMBL2089308 0.67 PDE3B (0.53) FFAR1CHRM4

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 ACVR1 1139/4885ENPP2 1640/4885FFAR1 58/4885

“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.