SCHEMBL2096697

SCHEMBL2096697

[O]c1ccc2c(N3CCC(CCCc4ccc(C(F)(F)F)cc4)CC3)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
MAOB P27338 1/20 0.39
CCR5 P51681 1/20 0.38
ENPP1 P22413 1/20 0.37
HTR1A P08908 4/20 0.36
HTR1D P28221 4/20 0.36
HTR1B P28222 4/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
MCHR1 Q99705 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CHRM2 P08172 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC18A3 Q16572 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL2093680 0.96 CYP2C9 (0.41) CYP2C9MAOBCCR5ENPP1HTR1A
SCHEMBL27666157 0.83 MAOB (0.39) CYP2C9MAOBCCR5ENPP1SLC6A4
SCHEMBL2094821 0.82 MAOB (0.45) MAOBMCHR1LPLLIPGCHRM2
SCHEMBL28761490 0.80 NMT1 (0.49) CYP2C9MAOBHTR1AKCNH2RPS6KB1
SCHEMBL2091038 0.78 MAOB (0.37) MAOBCCR5MCHR1CHRM2KCNH2
SCHEMBL2096413 0.76 MCHR1 (0.45) MAOBSLC6A4SLC6A2MCHR1
SCHEMBL2097669 0.76 GRM2 (0.44) CHRM2
SCHEMBL27665843 0.74 MAOB (0.38) CYP2C9MAOBCCR5SLC6A4SLC6A2
SCHEMBL2091040 0.74 MAOB (0.37) MAOBCCR5MCHR1CHRM2KCNH2
SCHEMBL2091985 0.73 GRM2 (0.45) CHRM2

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 CYP2C9 2206/4885MAOB 1654/4885CCR5 719/4885

“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.