SCHEMBL2096516

SCHEMBL2096516

[CH2]Oc1cccc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.42
QPCTL Q9NXS2 4/20 0.42
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MMP12 P39900 1/20 0.37
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ACVR1 Q04771 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
SCHEMBL2096521 0.85 MMP12 (0.55) QPCTQPCTLMMP12ALDH1A1
SCHEMBL6008269 0.80 MAPT (0.50) QPCTQPCTLMMP12KDM4EALDH1A1
SCHEMBL31143361 0.80 MAPT (0.50) QPCTQPCTLMMP12KDM4EALDH1A1
SCHEMBL22418755 0.79 QPCT (0.47) QPCTQPCTLFGFR1KDM4EALDH1A1
SCHEMBL2457365 0.79 QPCT (0.50) QPCTQPCTLFGFR1KDM4EALDH1A1
SCHEMBL13373333 0.76 MAPK14 (0.47) QPCTQPCTLBRD4CREBBP
SCHEMBL28178103 0.76 IDO1 (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL17137537 0.76 EGLN1 (0.48)
SCHEMBL30450030 0.76 EGLN1 (0.48)
SCHEMBL28190280 0.76 QPCT (0.47) QPCTQPCTLFGFR1KDM4EALDH1A1

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 QPCT 731/4885QPCTL 2317/4885PRMT5 1336/4885

“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.