SCHEMBL2097744

SCHEMBL2097744

COCCCCCCc1cscn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
LTA4H P09960 1/20 0.32
SLC6A3 Q01959 2/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL2091687 1.00 ALDH1A1 (0.33) ALDH1A1TSHRLTA4HSLC6A3HPGD
SCHEMBL2097641 0.82 CES2 (0.31) MAPK1NPSR1
SCHEMBL2091685 0.82 ALDH1A1 (0.34) ALDH1A1LTA4HSLC6A3HPGDHTT
SCHEMBL2097743 0.82 ALDH1A1 (0.34) ALDH1A1LTA4HSLC6A3HPGDHTT
SCHEMBL19861706 0.79 KCNH2 (0.47) ALDH1A1TSHRSLC6A3
SCHEMBL7439199 0.79 KCNH2 (0.47) ALDH1A1TSHRSLC6A3
SCHEMBL7459485 0.79 KCNH2 (0.47) ALDH1A1TSHRSLC6A3
SCHEMBL18531931 0.79 KCNH2 (0.47) ALDH1A1TSHRSLC6A3
SCHEMBL19441219 0.79 KCNH2 (0.47) ALDH1A1TSHRSLC6A3
SCHEMBL2097643 0.79 SPHK2 (0.33) LTA4HSLC6A3

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 ALDH1A1 412/4885TSHR 162/4885LTA4H 3093/4885

“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.