SCHEMBL2094650

SCHEMBL2094650

[O]c1ccc2c(Oc3ccc(Cl)cc3)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDR P35968 2/20 0.42
RHEB Q15382 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MIF P14174 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
SCHEMBL2094652 0.82 RHEB (0.44) HTTL3MBTL1KDRRHEBCYP1A1
SCHEMBL18024086 0.74 MAPT (0.46) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL1616630 0.74 SCN9A (0.43) HTTL3MBTL1CYP1A2MAPTKDM4E
SCHEMBL27645113 0.73 RHEB (0.41) HTTL3MBTL1KDRRHEBCYP1A1
SCHEMBL29802752 0.70 KDR (0.55) HTTL3MBTL1KDRCCNCCDK8
SCHEMBL9483962 0.69 HTR2A (0.47) HTTL3MBTL1RHEBCYP1A2ALDH1A1
SCHEMBL16717433 0.68 ADORA1 (0.52) HTTCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL2149766 0.68 HTR2A (0.53) HTTL3MBTL1CYP1A2ALDH1A1HPGD
SCHEMBL7462623 0.67 LMNA (0.54) KDRCYP1A2ALDH1A1HPGDMAPT
SCHEMBL822931 0.67 ALDH1A1 (0.53) HTTL3MBTL1RHEBMCL1ALDH1A1

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 3 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

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 HTT 4689/4885L3MBTL1 2575/4885KDR 2859/4885

“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.