SCHEMBL2092579

SCHEMBL2092579

[CH2]OCCC/C=C/Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
IDO1 P14902 5/20 0.38
AGXT P21549 2/20 0.38
TOP1 P11387 1/20 0.37
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.31
CHRM2 P08172 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL2092580 1.00 KCNH2 (0.42) KCNH2IDO1AGXTTOP1KDM4E
SCHEMBL2094229 0.91 KCNH2 (0.40) KCNH2IDO1AGXTTOP1MAOB
SCHEMBL2094231 0.91 KCNH2 (0.40) KCNH2IDO1AGXTTOP1MAOB
SCHEMBL5542921 0.80 KCNH2 (0.38) KCNH2IDO1AGXTTOP1KDM4E
SCHEMBL5542917 0.80 KCNH2 (0.38) KCNH2IDO1AGXTTOP1KDM4E
SCHEMBL2095629 0.79 IDO1 (0.42) KCNH2IDO1AGXTMAOBTAAR1
SCHEMBL2095626 0.79 IDO1 (0.42) KCNH2IDO1AGXTMAOBTAAR1
SCHEMBL2096068 0.79 KCNH2 (0.40) KCNH2MAOB
SCHEMBL2096071 0.79 KCNH2 (0.40) KCNH2MAOB
SCHEMBL2095761 0.78 KCNH2 (0.44) KCNH2IDO1AGXTTOP1TDP1

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 KCNH2 3121/4885IDO1 2665/4885AGXT 2979/4885

“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.