SCHEMBL2097198

SCHEMBL2097198

C[N]c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.54
▸ CYP3A4 P08684 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 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
SCHEMBL15159928 0.78 ACHE (0.52) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL15432459 0.78 ACHE (0.52) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL11957899 0.78 ACHE (0.52) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL15728169 0.75 CYP1A1 (0.49) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL14377173 0.75 TUBB4A (0.50) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL1547556 0.73 HTR3E (0.61) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL6957365 0.73 HTR3E (0.66) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL457065 0.73 ACHE (0.46) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL5525499 0.73 ACHE (0.46) ACHECYP3A4MAPTCA9HTR2C
SCHEMBL374491 0.73 CYP3A4 (0.47) ACHECYP3A4MAPTCA9HTR2A

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 ACHE 4734/4885CYP3A4 1734/4885MAPT 4299/4885

“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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