SCHEMBL2095906

SCHEMBL2095906

[O]c1nc2cc(N3CCC(CCCc4ccc(C(F)(F)F)cc4)CC3)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR1A P08908 3/20 0.36
CHRM2 P08172 2/20 0.36
HTR2C P28335 1/20 0.35
MCHR1 Q99705 3/20 0.35
CETP P11597 1/20 0.34
CCR5 P51681 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
DYRK1A Q13627 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL2094724 0.96 HTR1A (0.37) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL2093048 0.89 LRRK2 (0.38) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL5016189 0.85 HTR1A (0.49) SLC6A2SLC6A4HTR1AHTR2CCETP
SCHEMBL5013286 0.83 HTR1A (0.51) SLC6A2SLC6A4HTR1AHTR2CCETP
SCHEMBL27644699 0.82 NAMPT (0.45) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL27644983 0.78 SLC6A2 (0.38) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL2096413 0.77 MCHR1 (0.45) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL5012728 0.77 SIGMAR1 (0.52) SLC6A2SLC6A4HTR1AHTR2CCETP
SCHEMBL2091038 0.75 MAOB (0.37) MAOBCHRM2MCHR1CCR5RPS6KB1
SCHEMBL28761501 0.74 SLC6A2 (0.39) MAOBHRH3HRH4SLC6A2SLC6A4

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 1654/4885HRH3 538/4885HRH4 360/4885

“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.