SCHEMBL2089736

SCHEMBL2089736

COC(=O)Nc1ccccc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
KMT2A Q03164 2/20 0.51
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11660096 0.86 KMT2A (0.53) KMT2AALDH1A1HPGDKDM4ECYP1A2
SCHEMBL2089734 0.85 PDK1 (0.50) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL5442803 0.85 KMT2A (0.71) KMT2AALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3629659 0.85 KMT2A (0.57) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11659356 0.83 HPGD (0.64) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11686506 0.83 KMT2A (0.50) KMT2AALDH1A1HPGDKDM4ECYP1A2
SCHEMBL19805148 0.82 MEN1 (0.68) KMT2AALDH1A1HPGDKDM4ECYP1A2
SCHEMBL29992092 0.82 RXFP1 (0.59) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL15368377 0.82 RXFP1 (0.59) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL505353 0.82 CYP2C19 (0.69) PDK1PDK2PDK3PDK4KMT2A

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 6 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
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 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 (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 PDK1 790/4885PDK2 126/4885PDK3 271/4885

“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.