SCHEMBL902908

SCHEMBL902908

COc1cccc(OCO)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
TSHR P16473 2/20 0.62
LMNA P02545 1/20 0.61
MAOB P27338 7/20 0.58
APP P05067 1/20 0.53
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ACHE P22303 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL716796 0.89 TSHR (0.47) MAPK1TSHRLMNAMAOBAPP
1,3-Dimethoxybenzene SCHEMBL27952551 0.84 MAPK1 (0.58) MAPK1TSHRLMNAMAOBMTNR1B
SCHEMBL3058241 0.84 ALDH1A1 (0.44) MAPK1TSHRLMNAMAOBGAA
SCHEMBL3267175 0.83 TSHR (0.62) MAPK1TSHRLMNAMAOBAPP
SCHEMBL1729519 0.82 MAPK1 (0.75) MAPK1TSHRLMNAMAOBAPP
SCHEMBL11306471 0.82 MAOB (0.62) MAPK1TSHRLMNAMAOBAPP
SCHEMBL5825053 0.82 TSHR (0.60) MAPK1TSHRLMNAMAOBMTNR1A
SCHEMBL2097718 0.81 ALDH1A1 (0.58) MAPK1TSHRLMNAALDH1A1
1,3-Dimethoxybenzene SCHEMBL27700724 0.81 ACHE (0.64) MAPK1TSHRLMNAMAOBALDH1A1
1,3-Dimethoxybenzene SCHEMBL9350 0.81 ACHE (0.70) LMNAMAOBALDH1A1ACHE

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 6 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
WO-2012042541-A2 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-04-05 WO 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 MAPK1 2105/4885TSHR 162/4885LMNA 4594/4885

“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.