SCHEMBL2095845

SCHEMBL2095845

FC(F)(F)Oc1c([S])cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.36
CACNG8 Q8WXS5 4/20 0.36
TRPV1 Q8NER1 2/20 0.33
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 1/20 0.31
CHRM5 P08912 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8978656 0.85 KMT2A (0.38) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL2094135 0.85 KMT2A (0.31) KMT2A
SCHEMBL2095401 0.78 HCRTR1 (0.30)
SCHEMBL10873536 0.76 GRIA1 (0.33) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL16957704 0.76 KDM4E (0.44) GRIA1CACNG8TRPV1CYP1A2MAPT
SCHEMBL2091796 0.76 GRIA1 (0.39) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL29937335 0.76 GRIA1 (0.33) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL2095848 0.76 GRIA1 (0.33) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL16957701 0.76 GRIA1 (0.33) GRIA1CACNG8TRPV1KMT2ACYP1A2
SCHEMBL2091798 0.76 TSHR (0.45) GRIA1CACNG8TRPV1KMT2AMEN1

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 GRIA1 131/4885CACNG8 3263/4885TRPV1 2567/4885

“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.