SCHEMBL2094947

SCHEMBL2094947

[O]c1cc(N2CCC(CCCCc3ccccc3)CC2)c2ncsc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
CCR5 P51681 3/20 0.36
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NMT1 P30419 1/20 0.35
ACHE P22303 1/20 0.34
FAAH O00519 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 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
SCHEMBL27666166 0.85 HTR1A (0.43) SLC18A3CCR3SIGMAR1HRH3ACHE
SCHEMBL28758338 0.84 HTR1A (0.43) SLC18A3CCR3SIGMAR1HRH3ACHE
SCHEMBL5011649 0.83 SIGMAR1 (0.49) CCR3SIGMAR1HTR1ADRD2HTR2A
SCHEMBL2097406 0.80 SLC18A3 (0.37) SLC18A3CCR5CCR3SIGMAR1HRH3
SCHEMBL27645198 0.74 SLC18A3 (0.40) SLC18A3CCR5CCR3SIGMAR1HRH3
SCHEMBL2089595 0.72 NMT1 (0.46) SLC18A3CCR3SIGMAR1HRH3NMT1
SCHEMBL2093497 0.71 NMT1 (0.42) SLC18A3HRH3KDM4EALDH1A1NMT1
SCHEMBL27645200 0.69 ADRB2 (0.41) SLC18A3SIGMAR1HRH3
SCHEMBL2088636 0.68 MAPT (0.41) SLC18A3HTR1A
SCHEMBL28761502 0.68 KCNH2 (0.52) SLC18A3NMT1ACHEDRD2

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 4599/4885CCR5 719/4885CCR3 926/4885

“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.