SCHEMBL2094759

SCHEMBL2094759

[CH]c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AHR P35869 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2A6 P11509 2/20 0.35
▸ TSHR P16473 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NOTUM Q6P988 2/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL2094761 1.00 CYP3A4 (0.46) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL29368277 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL348089 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
Cyanide SCHEMBL28113398 0.76 CYP3A4 (0.53) CYP3A4MAPK1AHRTDP1CYP2A6
Methane SCHEMBL23466796 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL27259983 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
Phosphine SCHEMBL28064314 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
Ammonia Solution, Strong SCHEMBL28194262 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
Fluoride SCHEMBL27699550 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
Hydrochloric Acid SCHEMBL27691381 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6

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 CYP3A4 1734/4885MAPK1 2105/4885AHR 1050/4885

“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.

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