SCHEMBL2094849

SCHEMBL2094849

[CH2]Cc1cccc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
AGXT P21549 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
IDO1 P14902 3/20 0.47
KIF11 P52732 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
POLB P06746 1/20 0.46
ACP3 P15309 1/20 0.45
KDM1A O60341 1/20 0.44
MIF P14174 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.43

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
SCHEMBL128465 0.88 TAAR1 (0.60) MAOBTAAR1IDO1HTR2AHTR2C
SCHEMBL27882674 0.87 MAOB (0.64) MAOBAGXTTAAR1KIF11ACP3
SCHEMBL2092465 0.86 TAAR1 (0.54) MAOBAGXTTAAR1IDO1HTR2A
SCHEMBL1263144 0.82 TSHR (0.58) MAOBIDO1KIF11HTR2CKDM1A
SCHEMBL29678302 0.82 TSHR (0.58) MAOBIDO1KIF11HTR2CKDM1A
SCHEMBL3727416 0.81 MAOB (0.61) MAOBAGXTTAAR1IDO1KIF11
SCHEMBL10269541 0.81 PRKCI (0.53) MAOBAGXTTAAR1IDO1KIF11
SCHEMBL10269861 0.81 MAOB (0.53) MAOBAGXTTAAR1IDO1KIF11
SCHEMBL7394840 0.81 MAOB (0.53) MAOBAGXTTAAR1IDO1KIF11
SCHEMBL12330478 0.81 HTR2A (0.54) MAOBAGXTTAAR1IDO1HTR2A

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 MAOB 1654/4885AGXT 2979/4885TAAR1 163/4885

“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.