SCHEMBL2090701

SCHEMBL2090701

Nc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 3/20 0.50
MAOB P27338 2/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
APP P05067 1/20 0.39
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL29510672 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL9315355 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL30350411 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL2531345 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL1523 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL29366090 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL31174567 0.82 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL27585318 0.82 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL10889608 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL12024590 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4MAOBMAPTPOLB

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 ALDH1A1 412/4885CYP3A4 1734/4885MAOB 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.