SCHEMBL2094029

SCHEMBL2094029

[O]c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
SNCA P37840 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MCL1 Q07820 1/20 0.55
PKM P14618 1/20 0.53
CHEK2 O96017 10/20 0.52

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
SCHEMBL9033307 0.86 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3335014 0.86 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL9032997 0.84 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL2091998 0.83 NPC1 (0.62) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3337505 0.81 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3336522 0.81 NPC1 (0.57) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3337292 0.81 GUSB (0.57) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7187637 0.81 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL2246334 0.81 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL2089777 0.80 NPBWR1 (0.55) CHEK2NPBWR1TNKSTNKS2

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 ALDH1A1 412/4885HPGD 1951/4885MEN1 4525/4885

“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.