SCHEMBL2096352

SCHEMBL2096352

Oc1nc2c(N3CCC(Cc4ccccc4C(F)(F)C(F)(F)F)CC3)cccc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 9/20 0.33
ALDH1A1 P00352 2/20 0.33
RBP4 P02753 7/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
MAPT P10636 2/20 0.32
SLC6A4 P31645 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
STAT3 P40763 1/20 0.31
GNRHR P30968 1/20 0.31
GFER P55789 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2B P41595 1/20 0.30
MAPK14 Q16539 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
SCHEMBL2096350 0.88 TTR (0.33) TTRALDH1A1RBP4HTR1ADRD2
SCHEMBL2090169 0.85 GRIN2B (0.42) HTR1ADRD2HTR2AMAPTSLC6A4
SCHEMBL5015111 0.84 GNRHR (0.44) ALDH1A1HTR1ADRD2HTR2AKDM4E
SCHEMBL2093133 0.80 SCD (0.48) TTRRBP4
SCHEMBL2095285 0.78 SMN1; SMN2 (0.34) HTR1ADRD2HTR2AMAPTHTT
SCHEMBL2094505 0.77 GPR6 (0.38) TTRALDH1A1RBP4
SCHEMBL2091735 0.76 MAOA (0.41) DRD2MAPTHTTSMN1; SMN2GFER
SCHEMBL2097140 0.74 MAPT (0.38) ALDH1A1MAPTSLC6A4HTTSMN1; SMN2
SCHEMBL27665965 0.73 HTR1A (0.40) TTRRBP4HTR1ADRD2HTR2A
SCHEMBL2090166 0.72 DRD2 (0.40) HTR1ADRD2HTR2AMAPTSLC6A4

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 TTR 4486/4885ALDH1A1 412/4885RBP4 930/4885

“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.