SCHEMBL2095832

SCHEMBL2095832

FC(F)(F)c1cccc(COCC2CCCC[N]2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TACR1 P25103 1/20 0.41
MAOB P27338 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HTR6 P50406 1/20 0.40
EPHX1 P07099 3/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TEAD1 P28347 1/20 0.39
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL2095104 0.83 ALDH1A1 (0.44) IDO1KDM4EALDH1A1GAAEPHX1
SCHEMBL27708411 0.74 IDO1 (0.72) IDO1TACR1MAOBKDM4EALDH1A1
SCHEMBL2096702 0.72 SCN9A (0.37) CARM1PRMT6TAAR1
SCHEMBL14284254 0.70 IDO1 (0.47) IDO1TACR1MAOBALDH1A1CARM1
SCHEMBL30810364 0.70 IDO1 (0.66) IDO1TACR1MAOBTAAR1
SCHEMBL30754913 0.70 CARM1 (0.62) IDO1TACR1MAOBKDM4EALDH1A1
SCHEMBL2297042 0.69 CARM1 (0.58) IDO1TACR1MAOBCARM1PRMT6
SCHEMBL2097546 0.69 IDO1 (0.40) IDO1MAOBALDH1A1CARM1PRMT6
SCHEMBL8805526 0.69 TSHR (0.41) TAAR1
SCHEMBL3153651 0.69 IDO1 (0.64) IDO1TACR1MAOBTAAR1

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 IDO1 2665/4885TACR1 610/4885MAOB 1654/4885

“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.