SCHEMBL2099508

SCHEMBL2099508

[CH2]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SMARCA2 P51531 1/20 0.34

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
SCHEMBL8928083 0.79 ALDH1A1 (0.50) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL500204 0.77 ALDH1A1 (0.47) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL25369445 0.77 CYP2A6 (0.50) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL5491869 0.76 BACE1 (0.41) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL1225414 0.76 BACE1 (0.50) BACE1MAPTLMNAHTTALDH1A1
Water SCHEMBL10380491 0.76 BACE1 (0.50) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL11328974 0.75 ALDH1A1 (0.57) BACE1MAPTALDH1A1ALOX5HSD17B10
SCHEMBL21280060 0.75 HSD17B10 (0.48) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL2093639 0.75 BACE1 (0.44) BACE1MAPTLMNAHTTALDH1A1
SCHEMBL27781809 0.75 METAP2 (0.47) BACE1MAPTLMNAHTTALDH1A1

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN 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 BACE1 3500/4885MAPT 4299/4885LMNA 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.

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