SCHEMBL2092465

SCHEMBL2092465

[CH2]CCc1cccc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MAOB P27338 3/20 0.54
AGXT P21549 1/20 0.50
IDO1 P14902 2/20 0.49
MIF P14174 2/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
ACP3 P15309 1/20 0.42
DAO P14920 1/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM1A O60341 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1046631 0.89 TAAR1 (0.67) TAAR1MAOBIDO1MIFHTR2A
SCHEMBL28799937 0.88 MAOB (0.69) TAAR1MAOBAGXTIDO1SLC13A5
SCHEMBL2094849 0.86 MAOB (0.53) TAAR1MAOBAGXTIDO1MIF
SCHEMBL18015796 0.83 TAAR1 (0.54) TAAR1MAOBAGXTIDO1MIF
SCHEMBL16399450 0.83 TAAR1 (0.54) TAAR1MAOBAGXTIDO1MIF
SCHEMBL10287226 0.80 TAAR1 (0.65) TAAR1MAOBAGXTIDO1MIF
SCHEMBL29678302 0.79 TSHR (0.58) MAOBIDO1HTR2CKDM1AALDH1A1
SCHEMBL1263144 0.79 TSHR (0.58) MAOBIDO1HTR2CKDM1AALDH1A1
SCHEMBL18003547 0.79 MAOB (0.50) TAAR1MAOBAGXTIDO1MIF
SCHEMBL1046263 0.79 TAAR1 (0.62) TAAR1MAOBIDO1MIFHTR2A

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 TAAR1 163/4885MAOB 1654/4885AGXT 2979/4885

“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.