SCHEMBL2092498

SCHEMBL2092498

C[N]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
KIF11 P52732 9/20 0.49
CHKA P35790 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MIF P14174 1/20 0.41
FDFT1 P37268 1/20 0.41
GRIN2B Q13224 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL2096206 0.94 TAAR1 (0.48) MAOBKIF11TAAR1IDO1KDM4E
SCHEMBL1687449 0.77 MAOB (0.57) MAOBKIF11CHKATAAR1IDO1
SCHEMBL2290365 0.77 MAOB (0.57) MAOBKIF11CHKATAAR1IDO1
SCHEMBL2090692 0.76 GRIN2B (0.49) KIF11ALDH1A1GRIN2B
SCHEMBL13410633 0.75 KIF11 (0.78) MAOBKIF11ALDH1A1
SCHEMBL29914837 0.75 KIF11 (0.78) MAOBKIF11ALDH1A1
SCHEMBL197238 0.75 KIF11 (0.78) MAOBKIF11ALDH1A1
SCHEMBL2091029 0.74 MAOB (0.48) MAOBCHKATAAR1IDO1AGXT
SCHEMBL6143031 0.74 TAAR1 (0.50) CHKATAAR1IDO1ALDH1A1GRIN2B
SCHEMBL20781935 0.73 KIF11 (0.54) MAOBKIF11CHKATAAR1IDO1

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 MAOB 1654/4885KIF11 3992/4885CHKA 3687/4885

“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.