SCHEMBL2091045

SCHEMBL2091045

[O]c1cc(N2CCC(Oc3ccccc3)C(Oc3ccccc3)C2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSC P53634 2/20 0.43
CTSH P09668 1/20 0.43
CTSF Q9UBX1 1/20 0.43
KDM4E B2RXH2 8/20 0.41
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRB1 P08588 1/20 0.39
NCF1 P14598 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
SCHEMBL2091048 0.86 KDM4E (0.41) CTSVCTSLCTSBCTSSCTSK
SCHEMBL2093151 0.84 KDM4E (0.47) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2094085 0.75 CHRM4 (0.44) KDM4EGAAKMT2AGBA1MEN1
SCHEMBL2090493 0.74 EPHX2 (0.45) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2095360 0.74 HRH4 (0.42) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2096492 0.72 TSHR (0.49) KDM4EGAAL3MBTL1ALDH1A1MAPT
SCHEMBL2093153 0.69 KDM4E (0.47) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2098417 0.69 CTSV (0.41) CTSVCTSLCTSBCTSSCTSK
SCHEMBL5536098 0.67 CTSV (0.49) CTSVCTSLCTSBCTSSCTSK
SCHEMBL5536090 0.67 CTSV (0.49) CTSVCTSLCTSBCTSSCTSK

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 CTSV 3996/4885CTSL 3040/4885CTSB 3219/4885

“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.