SCHEMBL2097577

SCHEMBL2097577

CN(C([O])=O)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
FSCN1 Q16658 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HIF1A Q16665 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
S1PR1 P21453 1/20 0.33
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
APEX1 P27695 1/20 0.32
S1PR4 O95977 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
P2RX1 P51575 1/20 0.30

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
SCHEMBL2097580 0.83 POLB (0.39) HPGDHSD17B10CYP3A4CRHBPCRHR2
SCHEMBL2092289 0.80 ATF1 (0.43) FSCN1ALDH1A1TSHRP2RX1
SCHEMBL2095708 0.79 APEX1 (0.44) HPGDCYP3A4FSCN1POLBALDH1A1
SCHEMBL2093277 0.78 NQO2 (0.36) HPGDHSD17B10CYP3A4CRHBPCRHR2
SCHEMBL2093274 0.76 FSCN1 (0.33) HPGDHSD17B10CYP3A4CRHBPCRHR2
SCHEMBL2092038 0.72 GPBAR1 (0.48) CYP3A4ALDH1A1S1PR1S1PR4
SCHEMBL2092296 0.71 CES2 (0.41)
SCHEMBL2095575 0.71 ALDH1A1 (0.48) HPGDHSD17B10FSCN1POLBALDH1A1
SCHEMBL11305732 0.70 ALDH1A1 (0.60) HPGDCYP3A4POLBALDH1A1TSHR
SCHEMBL2089844 0.70 FSCN1 (0.44) HPGDHSD17B10CYP3A4FSCN1POLB

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 HPGD 1951/4885HSD17B10 363/4885CYP3A4 1734/4885

“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.