SCHEMBL2090914

SCHEMBL2090914

NCCCc1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
TAAR1 Q96RJ0 2/20 0.40
AKT2 P31751 1/20 0.39
MAOA P21397 1/20 0.38
PPARA Q07869 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL2095603 0.89 TAAR1 (0.52) MAOBTAAR1
SCHEMBL2024806 0.85 SLC7A5 (0.48) MAOBTAAR1
SCHEMBL2090912 0.82 PPARA (0.37) MAOBPPARA
SCHEMBL2095922 0.81 MAOB (0.47) MAOB
SCHEMBL16089347 0.81 MAOB (0.47) MAOB
SCHEMBL28949186 0.81 AKT2 (0.49) MAOBAKT2
SCHEMBL2092170 0.80 TAAR1 (0.46) MAOBTAAR1MAOAPPARA
SCHEMBL8321773 0.80 SLC7A5 (0.50) MAOBMAOA
SCHEMBL2097292 0.79 SLC7A5 (0.49) MAOBMAOAHTR2A
SCHEMBL6230413 0.79 SLC7A5 (0.49) MAOBMAOAHTR2A

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 1654/4885TAAR1 163/4885AKT2 1916/4885

“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.