SCHEMBL2097406

SCHEMBL2097406

[O]c1ccc(N2CCC(CCCCCc3ccccc3)CC2)c2ncsc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
NMT1 P30419 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CCR3 P51677 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ACHE P22303 1/20 0.34
FAAH O00519 1/20 0.34
CCR5 P51681 2/20 0.34
GRIN2B Q13224 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
SCHEMBL5015053 0.83 SIGMAR1 (0.49) SIGMAR1CCR3
SCHEMBL28758338 0.82 HTR1A (0.43) SLC18A3SIGMAR1CCR3HRH3ACHE
SCHEMBL2094947 0.80 SLC18A3 (0.37) SLC18A3NMT1RPS6KB1AKT1SIGMAR1
SCHEMBL2088636 0.70 MAPT (0.41) SLC18A3NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL28761502 0.70 KCNH2 (0.52) SLC18A3NMT1ACHE
SCHEMBL2093497 0.69 NMT1 (0.42) SLC18A3NMT1HRH3HTTSMN1; SMN2
SCHEMBL2096034 0.68 ACHE (0.41) SLC18A3SIGMAR1CCR3HRH3L3MBTL1
SCHEMBL2089595 0.68 NMT1 (0.46) SLC18A3NMT1RPS6KB1AKT1SIGMAR1
SCHEMBL2096547 0.67 SLC18A3 (0.41) SLC18A3NMT1HRH3ACHEFAAH
SCHEMBL12040681 0.65 HRH3 (0.60) SLC18A3SIGMAR1CCR3HRH3

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 SLC18A3 4599/4885NMT1 1009/4885RPS6KB1 470/4885

“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.