SCHEMBL2090832

SCHEMBL2090832

[O]c1ccc2c(N3CCC(Cc4cccc(C(F)(F)F)c4)CC3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
MGLL Q99685 9/20 0.43
HTR6 P50406 1/20 0.41
PDGFRB P09619 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2090834 0.88 ADRB2 (0.49) ADRB2NCF1MGLLHTR6
SCHEMBL27666016 0.88 ADRB2 (0.47) ADRB2NCF1MGLLHTR6DRD2
SCHEMBL2096017 0.80 ADRB2 (0.49) ADRB2NCF1PDGFRBDRD2DRD3
SCHEMBL2097959 0.78 NPC1 (0.41) ADRB2NCF1PDGFRBKDM4EMAPT
SCHEMBL2093497 0.76 NMT1 (0.42) HTR6DRD2DRD3KDM4EHRH3
SCHEMBL7136526 0.76 ADRB2 (0.65) ADRB2NCF1PDGFRBDRD2DRD3
SCHEMBL2094804 0.75 RPS6KB1 (0.38) ADRB2NCF1HTR6KDM4EMAPT
SCHEMBL2093573 0.74 RBP4 (0.39) ADRB2NCF1
SCHEMBL2096558 0.72 KCNN4 (0.41) MGLLHTR6KDM4EHRH3
SCHEMBL27645199 0.71 HRH3 (0.41) MGLLHTR6DRD2KDM4EHRH3

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 ADRB2 125/4885NCF1 490/4885MGLL 4672/4885

“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.