SCHEMBL2091126

SCHEMBL2091126

Fc1cc(F)c(Cc2c(F)cc(F)cc2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
TAAR1 Q96RJ0 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ERN1 O75460 1/20 0.32
IDO1 P14902 3/20 0.31
AGXT P21549 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CNR1 P21554 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL28206390 0.75 P2RX7 (0.34)
SCHEMBL857045 0.75 TAAR1 (0.42) GPR84TAAR1CES2CES1RIPK1
SCHEMBL4574423 0.75 CNR1 (0.33) GPR84TAAR1CES2CES1RIPK1
SCHEMBL5522542 0.75 TAAR1 (0.37) TAAR1ALDH1A1
SCHEMBL96130 0.75 CES2 (0.37) GPR84TAAR1CES2CES1RIPK1
SCHEMBL2076815 0.75 CNR1 (0.33) GPR84TAAR1CES2CES1RIPK1
SCHEMBL96131 0.75 CES2 (0.37) GPR84TAAR1CES2CES1RIPK1
SCHEMBL189364 0.75 RAPGEF4 (0.33) GPR84TAAR1CES2CES1RIPK1
SCHEMBL17552643 0.75 RIPK1 (0.32) GPR84TAAR1CES2CES1RIPK1
SCHEMBL1547845 0.75 RIPK1 (0.40) GPR84TAAR1CES2CES1RIPK1

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 GPR84 372/4885TAAR1 163/4885CES2 2243/4885

“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.