SCHEMBL2091702

SCHEMBL2091702

[O]c1cccc(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CTNNB1 P35222 1/20 0.44
TSHR P16473 2/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
DPP4 P27487 1/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH1 P35367 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSPO P30536 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
RIPK1 Q13546 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
SCHEMBL9780873 0.84 LTA4H (0.55) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL8942339 0.83 TSHR (0.44) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL49837 0.82 LMNA (0.54) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL9273369 0.82 TSHR (0.52) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL9275082 0.80 TSHR (0.50) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL11816942 0.80 LTA4H (0.57) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL28416915 0.80 TSHR (0.50) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL5372849 0.79 TSHR (0.44) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL10756887 0.78 MAOB (0.48) KMT2ALMNAGAACTNNB1TSHR
SCHEMBL4339035 0.78 LTA4H (0.43) KMT2ATSHRLTA4HHPGDKDM4E

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 8 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-20080153706-A1 Water-In-Oil Suspoemulsions BAYER CROPSCIENCE AG (DE) 2008-06-26 US 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
EP-0799227-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-10-08 EP disclosed
US-5557003-A SOLVENT EXTRACTION OF ZINC FROM ORE ZENECA LIMITED (GB) 1996-09-17 US 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 (2 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 KMT2A 3324/4885LMNA 4594/4885GAA 3982/4885
US-20080153706-A1 Water-In-Oil Suspoemulsions AQP1, PIGS, MGLL KMT2A 4105/4885LMNA 1787/4885GAA 1598/4885

“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.