SCHEMBL2094968

SCHEMBL2094968

COc1c(C(C)=O)cc(C(C)=O)cc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.45
CA5A P35218 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
TPMT P51580 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2094965 0.80 CA5A (0.43) LMNAHTTCA5AALDH1A1KMT2A
SCHEMBL18159473 0.80 ALDH1A1 (0.46) LMNAHTTALDH1A1KMT2AMEN1
SCHEMBL2796551 0.77 LMNA (0.52) LMNACA5AALDH1A1CYP3A4MAPT
SCHEMBL290542 0.77 LMNA (0.69) LMNAHTTALDH1A1KMT2AMEN1
SCHEMBL9004046 0.77 HSD17B10 (0.46) LMNAALDH1A1HPGDMAPTAKR1C3
SCHEMBL11111361 0.77 LMNA (0.56) LMNAHTTCA5AALDH1A1KMT2A
SCHEMBL22991541 0.76 TPMT (0.61) LMNACA5AALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL29142671 0.76 LMNA (0.67) LMNAHTTALDH1A1KMT2AMEN1
SCHEMBL6343891 0.76 ALDH1A1 (0.61) LMNAHTTCA5AALDH1A1KMT2A
SCHEMBL507133 0.76 LMNA (0.50) LMNAHTTCA5AALDH1A1MAPK1

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 LMNA 4594/4885HTT 4689/4885CA5A 2292/4885

“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.