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SCHEMBL2093006

SCHEMBL2093006

COc1ccc(CC2CCN(c3ccc4nccc(O)c4c3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.51
▸ HTR1A P08908 6/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HTR7 P34969 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 3/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39

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
SCHEMBL2093002 0.88 PRKDC (0.51) PRKDCHTR1AABCB1ACHEHTR7
SCHEMBL2092255 0.85 TP53 (0.42) PRKDCHTR1A
SCHEMBL2089310 0.81 PDE3B (0.53) PDE10A
SCHEMBL27645051 0.78 PRKDC (0.48) PRKDCABCB1ACHEALDH1A1LMNA
SCHEMBL5016247 0.76 HTR1A (0.43) PRKDCHTR1AHTR7ALDH1A1MAPT
SCHEMBL2089363 0.73 HTR1A (0.39) HTR1AHTR7
SCHEMBL2092251 0.72 TP53 (0.42) PRKDCHTR1A
SCHEMBL19711743 0.71 HTR1A (0.52) HTR1AABCB1ACHEHTR7ADRA1D
SCHEMBL25758964 0.70 ABCB1 (0.61) HTR1AABCB1ALDH1A1LMNAMAPT
SCHEMBL3367454 0.69 CA2 (0.59) ABCB1ALDH1A1LMNA

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 PRKDC 4784/4885HTR1A 3561/4885ABCB1 2232/4885

“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.