SCHEMBL2091040

SCHEMBL2091040

Oc1nc2cccc(N3CCC(CCCCCc4ccc(C(F)(F)F)cc4)CC3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
KCNH2 Q12809 1/20 0.34
CHRM4 P08173 1/20 0.34
CCR5 P51681 1/20 0.34
CHRM2 P08172 1/20 0.33
NMT1 P30419 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GAA P10253 1/20 0.33
MCHR1 Q99705 3/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL2091038 0.89 MAOB (0.37) MAOBKCNH2CHRM4CCR5CHRM2
SCHEMBL5012698 0.86 SIGMAR1 (0.46) KCNH2
SCHEMBL27665843 0.82 MAOB (0.38) MAOBCCR5CHRM2NMT1RPS6KB1
SCHEMBL2093680 0.78 CYP2C9 (0.41) MAOBCCR5CHRM2NMT1MCHR1
SCHEMBL28761490 0.78 NMT1 (0.49) MAOBKCNH2NMT1RPS6KB1
SCHEMBL5012696 0.74 SIGMAR1 (0.46) KCNH2
SCHEMBL2096697 0.74 CYP2C9 (0.42) MAOBKCNH2CCR5CHRM2RPS6KB1
SCHEMBL27666157 0.73 MAOB (0.39) MAOBKCNH2CCR5NMT1RPS6KB1
SCHEMBL24258422 0.70 MAOB (0.49) MAOBGAA
SCHEMBL2094724 0.70 HTR1A (0.37) MAOBCHRM2MCHR1

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 MAOB 1654/4885KCNH2 3121/4885CHRM4 1284/4885

“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.