SCHEMBL2089595

SCHEMBL2089595

[O]c1ccc2nccc(N3CCC(CCCCc4ccccc4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.46
ACHE P22303 2/20 0.39
FAAH O00519 3/20 0.39
KCNH2 Q12809 1/20 0.38
SLC18A3 Q16572 1/20 0.38
NCF1 P14598 2/20 0.37
ADRB2 P07550 1/20 0.37
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL2093497 0.91 NMT1 (0.42) NMT1ACHEFAAHKCNH2SLC18A3
SCHEMBL28761502 0.86 KCNH2 (0.52) NMT1ACHEKCNH2SLC18A3NCF1
SCHEMBL27645178 0.83 ADRB2 (0.51) NMT1ACHEKCNH2SLC18A3NCF1
SCHEMBL27645112 0.82 NMT1 (0.43) NMT1ACHEFAAHKCNH2SLC18A3
SCHEMBL2096547 0.77 SLC18A3 (0.41) NMT1ACHEFAAHSLC18A3CA12
SCHEMBL2093573 0.76 RBP4 (0.39) ACHENCF1ADRB2F10
SCHEMBL27645182 0.74 NMT1 (0.44) NMT1ACHEKCNH2NCF1ADRB2
SCHEMBL27666211 0.74 NMT1 (0.44) NMT1ACHEKCNH2NCF1ADRB2
SCHEMBL2094804 0.73 RPS6KB1 (0.38) NCF1ADRB2RPS6KB1CA12CA1
SCHEMBL2094947 0.72 SLC18A3 (0.37) NMT1ACHEFAAHSLC18A3RPS6KB1

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 NMT1 1009/4885ACHE 4734/4885FAAH 3448/4885

“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.