SCHEMBL2094724

SCHEMBL2094724

[O]c1nc2cc(N3CCC(CCCCCCc4ccc(C(F)(F)F)cc4)CC3)ccc2s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
MAOB P27338 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR2C P28335 1/20 0.36
MCHR1 Q99705 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM2 P08172 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CETP P11597 2/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL2095906 0.96 MAOB (0.38) HTR1AMAOBHRH4HRH3HTR2C
SCHEMBL2093048 0.91 LRRK2 (0.38) HTR1AMAOBHRH4HRH3HTR2C
SCHEMBL5013286 0.86 HTR1A (0.51) HTR1AHTR2CSLC6A2SLC6A4SIGMAR1
SCHEMBL5016189 0.83 HTR1A (0.49) HTR1AHTR2CSLC6A2SLC6A4SIGMAR1
SCHEMBL27644983 0.82 SLC6A2 (0.38) HTR1AMAOBHRH4HRH3HTR2C
SCHEMBL2096413 0.80 MCHR1 (0.45) MAOBHRH4HRH3MCHR1SLC6A2
SCHEMBL2091038 0.79 MAOB (0.37) MAOBMCHR1CHRM2
SCHEMBL27644699 0.79 NAMPT (0.45) HTR1AMAOBHRH4HRH3SLC6A2
SCHEMBL28761501 0.77 SLC6A2 (0.39) HTR1AMAOBHRH4HRH3HTR2C
SCHEMBL5012728 0.77 SIGMAR1 (0.52) HTR1AHTR2CSLC6A2SLC6A4SIGMAR1

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 3 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

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 HTR1A 3561/4885MAOB 1654/4885HRH4 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.