SCHEMBL2089773

SCHEMBL2089773

[O]c1ccnc2cccc(N3CCC(Cc4cccc(OC(F)(F)F)c4)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.40
MGLL Q99685 3/20 0.40
KCNN4 O15554 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
EPHX2 P34913 1/20 0.39
IGF1R P08069 1/20 0.39
ALK Q9UM73 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NOTUM Q6P988 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL2094117 0.83 SCN9A (0.43) CHRM4MGLLEPHX2NOTUM
SCHEMBL27665945 0.82 EPHX2 (0.38) CHRM4MGLLKCNN4GPR52EPHX2
SCHEMBL2092569 0.80 RPS6KB1 (0.46) CA12CA1CA2CA9DRD4
SCHEMBL2096443 0.80 CA12 (0.40) ALKCA12CA1CA2CA9
SCHEMBL2094719 0.77 DCPS (0.39) CHRM4EPHX2CA12CA1CA2
SCHEMBL2098511 0.74 CCR3 (0.42) ALKCA12CA1CA2CA9
SCHEMBL2090670 0.74 KCNN4 (0.43) CHRM4MGLLKCNN4EPHX2CHRM2
SCHEMBL2091187 0.72 SCD (0.38) CHRM4EPHX2
SCHEMBL2089673 0.71 CHRM4 (0.48) CHRM4CHRM2CHRM1NOTUM
SCHEMBL2094191 0.71 CCR5 (0.40) CHRM4EPHX2CHRM2

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 CHRM4 1284/4885MGLL 4672/4885KCNN4 4035/4885

“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.