SCHEMBL2094564

SCHEMBL2094564

[CH2]OCc1cc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.44
AGXT P21549 1/20 0.34
IDO1 P14902 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
GPR52 Q9Y2T5 1/20 0.32
AXL P30530 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
HSD17B1 P14061 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
SCHEMBL1745259 0.80 SLC9A1 (0.50) SLC9A1IDO1GABRA1GABRA5MRGPRX4
SCHEMBL30971749 0.80 SLC9A1 (0.47) SLC9A1IDO1GABRA1GABRA5GPR52
SCHEMBL2093288 0.74 SLC9A1 (0.45) SLC9A1AGXTGABRA1
SCHEMBL5918418 0.74 SLC9A1 (0.54) SLC9A1IDO1GABRA1GABRA5AXL
SCHEMBL5504564 0.74 SLC9A1 (0.50) SLC9A1IDO1GABRA1GABRA5AXL
SCHEMBL17400909 0.72 SLC9A1 (0.51) SLC9A1IDO1GABRA1GABRA5AXL
SCHEMBL1745055 0.71 FFAR1 (0.56)
SCHEMBL5504567 0.70 SLC9A1 (0.50) SLC9A1IDO1GABRA1GABRA5AXL
SCHEMBL2092383 0.70 AGXT (0.33) AGXT
SCHEMBL2088811 0.68 AGXT (0.68) AGXT

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 SLC9A1 3718/4885AGXT 2979/4885IDO1 2665/4885

“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.