SCHEMBL2089970

SCHEMBL2089970

[CH2]CCCCCc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.37
CES1 P23141 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31
PLA2G4A P47712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM1A O60341 1/20 0.30
MAOB P27338 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
SCHEMBL7763977 1.00 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL2096439 0.98 ALDH1A1 (0.39) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL2050589 0.92
SCHEMBL357852 0.83
SCHEMBL4584899 0.80 PLA2G4A (0.43) ALDH1A1FDPSFBP1PLA2G4A
SCHEMBL1586619 0.80 FDPS (0.37) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL9256794 0.80 FDPS (0.41) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL6061151 0.80 FDPS (0.37) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL4584005 0.80 PLA2G4A (0.43) ALDH1A1FDPSFBP1PLA2G4A
SCHEMBL7275156 0.80 FDPS (0.41) ALDH1A1TSHRNOS1HSD17B10FDPS

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN 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 ALDH1A1 412/4885TSHR 162/4885NOS1 882/4885

“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.