SCHEMBL2090834

SCHEMBL2090834

Oc1ccc2c(N3CCC(Cc4cccc(C(F)(F)F)c4)CC3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
MGLL Q99685 14/20 0.49
CYP8B1 Q9UNU6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL2090832 0.88 ADRB2 (0.49) ADRB2NCF1MGLLHTR6
SCHEMBL27666016 0.88 ADRB2 (0.47) ADRB2NCF1MGLLHTR6
SCHEMBL2096022 0.80 ADRB2 (0.49) ADRB2NCF1CYP8B1MEN1KMT2A
SCHEMBL7136526 0.76 ADRB2 (0.65) ADRB2NCF1CYP8B1
SCHEMBL2094807 0.75 ENPP1 (0.40) ADRB2NCF1MGLLMEN1KMT2A
SCHEMBL2093576 0.74 ENPP1 (0.41) ADRB2NCF1MGLLCYP8B1
SCHEMBL2096561 0.72 MGLL (0.41) MGLLKMT2AHTR6
SCHEMBL27645199 0.71 HRH3 (0.41) MGLLHTR6
SCHEMBL29455010 0.70 PKM (0.68) ADRB2NCF1MEN1KMT2A
SCHEMBL5036271 0.70 PKM (0.68) ADRB2NCF1MEN1KMT2A

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.