SCHEMBL2096413

SCHEMBL2096413

[O]c1ccc2cc(N3CCC(CCCCc4ccc(C(F)(F)F)cc4)CC3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.45
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 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
SCHEMBL2093048 0.82 LRRK2 (0.38) MCHR1MAOBHRH3HRH4SLC6A2
SCHEMBL2094724 0.80 HTR1A (0.37) MCHR1MAOBHRH3HRH4SLC6A2
SCHEMBL2093680 0.78 CYP2C9 (0.41) MCHR1MAOBSLC6A2SLC6A4
SCHEMBL28761501 0.77 SLC6A2 (0.39) MCHR1MAOBHRH3HRH4SLC6A2
SCHEMBL2095906 0.77 MAOB (0.38) MCHR1MAOBHRH3HRH4SLC6A2
SCHEMBL2096697 0.76 CYP2C9 (0.42) MCHR1MAOBSLC6A2SLC6A4
SCHEMBL27644983 0.74 SLC6A2 (0.38) MCHR1MAOBHRH3HRH4SLC6A2
SCHEMBL27644699 0.73 NAMPT (0.45) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL13281915 0.72 ME2 (0.54) MAOBHRH3HRH4SLC6A2SLC6A4
SCHEMBL24258335 0.71 MAOB (0.50) MAOB

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 MCHR1 1240/4885MAOB 1654/4885HRH3 538/4885

“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.