SCHEMBL2093316

SCHEMBL2093316

[CH2]Oc1ccc(-c2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.56
QPCT Q16769 9/20 0.53
QPCTL Q9NXS2 7/20 0.53
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
PRKCI P41743 2/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.44
PSMD11 O00231 1/20 0.43

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
SCHEMBL8634290 0.84 QPCT (0.68) MMP12QPCTQPCTLBRD4CREBBP
SCHEMBL2093317 0.83 MMP12 (0.75) MMP12QPCTQPCTLKDM4ENPC1
SCHEMBL2462345 0.79 QPCT (0.68) QPCTQPCTLBRD4CREBBPPRKCI
SCHEMBL38665709 0.77 QPCT (0.66) MMP12QPCTQPCTLBRD4CREBBP
SCHEMBL28178022 0.77 QPCT (0.61) MMP12QPCTQPCTLBRD4CREBBP
SCHEMBL7021141 0.77 QPCT (0.66) MMP12QPCTQPCTLBRD4CREBBP
SCHEMBL28178020 0.77 PSMD11 (0.64) QPCTQPCTLBRD4CREBBPPRKCI
SCHEMBL2474515 0.77 QPCT (0.60) MMP12QPCTQPCTLBRD4CREBBP
SCHEMBL22418756 0.76 QPCT (0.64) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL28190281 0.76 QPCT (0.64) QPCTQPCTLPRKCIKDM4EMAPT

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 MMP12 3540/4885QPCT 731/4885QPCTL 2317/4885

“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.