SCHEMBL2089322

SCHEMBL2089322

CC=C(OC)c1cccc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NFE2L2 Q16236 2/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 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
SCHEMBL2090571 0.82 CTSD (0.52) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4025939 0.82 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2094820 0.79 KMT2A (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3863254 0.78 KMT2A (0.58) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9061953 0.76 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2098141 0.76 CA1 (0.52) KMT2ASMN1; SMN2TP53HPGDALDH1A1
SCHEMBL10769623 0.76 KMT2A (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.76 GAA (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6711812 0.75 TSHR (0.41) KMT2ASMN1; SMN2HPGDPOLBALDH1A1
SCHEMBL3762150 0.75 RAB9A (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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 KMT2A 3324/4885MEN1 4525/4885RAB9A 3153/4885

“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.