SCHEMBL2095375

SCHEMBL2095375

NCc1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.65
TAAR1 Q96RJ0 3/20 0.46
DPP4 P27487 3/20 0.46
IDO1 P14902 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
AHR P35869 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8893652 0.80 TAAR1 (0.65) PNMTTAAR1CYP3A4MAPK1
SCHEMBL671453 0.80 PNMT (0.54) PNMTTAAR1DPP4IDO1CYP3A4
SCHEMBL16300075 0.80 PNMT (0.54) PNMTTAAR1DPP4IDO1CYP3A4
SCHEMBL42705 0.79 PNMT (1.00) PNMTTAAR1DPP4IDO1
SCHEMBL22855023 0.78 PNMT (0.52) PNMTTAAR1DPP4IDO1
SCHEMBL30139647 0.78 PNMT (0.58) PNMTTAAR1DPP4IDO1
SCHEMBL4465598 0.78 CYP3A4 (0.43) PNMTTAAR1IDO1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL9035217 0.77 PNMT (0.95) PNMTTAAR1DPP4IDO1CYP3A4
SCHEMBL3727971 0.76 CYP3A4 (0.42) PNMTTAAR1IDO1CYP3A4MAPK1
SCHEMBL22469536 0.75 PNMT (0.48) PNMTTAAR1DPP4CYP1A2CYP2C9

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 PNMT 3431/4885TAAR1 163/4885DPP4 3073/4885

“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.