SCHEMBL2088515

SCHEMBL2088515

[O]c1cc2ncsc2cc1N1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
CCR5 P51681 1/20 0.38
CCR2 P41597 1/20 0.37
FFAR4 Q5NUL3 6/20 0.36
GRM2 Q14416 1/20 0.35
CHRM4 P08173 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KCNN4 O15554 1/20 0.35
DRD3 P35462 1/20 0.35
STAT3 P40763 1/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL2093005 0.85 PDE3B (0.43) NTRK1NTRK2FFAR4CHRM4EPHX2
SCHEMBL5013364 0.84 TSHR (0.50) NTRK1NTRK2DRD3
SCHEMBL27666309 0.81 NTRK1 (0.36) NTRK1NTRK2CCR5CCR2CRHBP
SCHEMBL2090670 0.75 KCNN4 (0.43) CHRM4KCNN4EPHX2
SCHEMBL2094191 0.72 CCR5 (0.40) CCR5CCR2GRM2CHRM4CRHBP
SCHEMBL2090744 0.69 GRIN1 (0.39) FFAR1
SCHEMBL27665910 0.69 MET (0.45) CCR5CHRM4CRHBPCRHR2
SCHEMBL18280128 0.69 ALDH1A1 (0.49) CCR5CCR2FFAR4GRM2CHRM4
SCHEMBL2089773 0.69 CHRM4 (0.40) CHRM4KCNN4EPHX2
SCHEMBL13279360 0.69 SCN4A (0.52) TP53MAPT

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 NTRK1 416/4885NTRK2 948/4885CCR5 719/4885

“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.