SCHEMBL2094568

SCHEMBL2094568

COCc1csc2c(C(F)(F)F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
IDO1 P14902 2/20 0.36
PDK2 Q15119 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 2/20 0.32
PARP1 P09874 1/20 0.31
KIF11 P52732 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
ACP1 P24666 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6002854 0.85 CYP1A2 (0.37) IDO1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL10686543 0.78 CYP2A6 (0.35) CYP1A2SMN1; SMN2KDM4ENPC1ALOX12
SCHEMBL2093293 0.76 PDE10A (0.35) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL10694686 0.75 ELANE (0.33) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL13202603 0.74 ALDH1A1 (0.37) CYP1A2LMNAPARP1KIF11SMN1; SMN2
SCHEMBL514613 0.71 IDO1 (0.66) TRPA1IDO1PDK2MAOBMAOA
SCHEMBL15700120 0.71 KMT2A (0.42) CLK4SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30788046 0.70 MPL (0.41) CYP3A4LMNAPARP1KIF11SMN1; SMN2
SCHEMBL29160848 0.70 MPL (0.41) CYP3A4LMNAPARP1KIF11SMN1; SMN2
SCHEMBL26160375 0.70 P2RX7 (0.39) TRPA1CYP1A2CYP3A4LMNAMAOB

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 TRPA1 2870/4885IDO1 2665/4885PDK2 126/4885

“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.