SCHEMBL2094465

SCHEMBL2094465

COc1ccc(C=CCC=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CYP1A2 P05177 4/20 0.43
HPGD P15428 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
FDPS P14324 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NQO2 P16083 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2096632 0.85 KMT2A (0.48) KMT2AALDH1A1TSHRMEN1NFE2L2
SCHEMBL2096631 0.85 KMT2A (0.48) KMT2AALDH1A1TSHRMEN1NFE2L2
SCHEMBL2096318 0.85 ALDH1A1 (0.61) KMT2AALDH1A1TSHRMEN1NFE2L2
SCHEMBL2094461 0.83 KMT2A (0.43) KMT2AALDH1A1TSHRMEN1NFE2L2
SCHEMBL2094462 0.83 KMT2A (0.43) KMT2AALDH1A1TSHRMEN1NFE2L2
SCHEMBL10948293 0.82 PTGS1 (0.49) KMT2AALDH1A1NFE2L2HPGDSMN1; SMN2
SCHEMBL10948298 0.82 PTGS1 (0.49) KMT2AALDH1A1NFE2L2HPGDSMN1; SMN2
SCHEMBL10992792 0.79 ALDH1A1 (0.41) KMT2AALDH1A1MEN1NFE2L2CYP1A2
SCHEMBL2095648 0.79 KMT2A (0.40) KMT2AMEN1NFE2L2CYP1A2NQO2
SCHEMBL2095650 0.79 KMT2A (0.40) KMT2AMEN1NFE2L2CYP1A2NQO2

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 3324/4885ALDH1A1 412/4885TSHR 162/4885

“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.