SCHEMBL2091670

SCHEMBL2091670

Oc1ccc2ccc(N3CCC(Oc4ccccc4)CC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.48
NAMPT P43490 1/20 0.46
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.41
ACLY P53396 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 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
SCHEMBL2091668 0.84 FFAR4 (0.48) FFAR4NAMPTHTR3AHTR3EHTR3B
SCHEMBL2095407 0.81 KCNH2 (0.46) FFAR4
SCHEMBL3708111 0.74 FFAR4 (0.56) FFAR4NAMPTDRD2DRD4DRD3
SCHEMBL5544898 0.71 FFAR4 (0.53) FFAR4NAMPTDRD2DRD4DRD3
SCHEMBL13279818 0.71 ACACB (0.51) FFAR4NAMPT
SCHEMBL31669162 0.71 NEK1 (0.44) NAMPTDRD2
SCHEMBL30480093 0.70 TERT (0.55) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL7723267 0.70 TERT (0.55) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL15442454 0.69 KDM4E (0.57) FFAR4ALDH1A1GAAMAPTKDM4E
SCHEMBL31669402 0.69 NEK1 (0.45) NAMPTDRD2

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 3 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

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 FFAR4 141/4885NAMPT 421/4885HTR3A 3573/4885

“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.