SCHEMBL1046009

SCHEMBL1046009

[CH2]CCC=Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
FBP1 P09467 1/20 0.46
CHAT P28329 1/20 0.46
CHRM5 P08912 1/20 0.46
RELA Q04206 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
NFE2L2 Q16236 3/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL1046008 1.00 CYP1A2 (0.49) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL6158729 0.85 CYP1A2 (0.52) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL1569784 0.81 CHAT (0.50) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL1569551 0.81 CHAT (0.50) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL1569554 0.81 CHAT (0.50) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2772413 0.79 CYP1A2 (0.53) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2772409 0.79 CYP1A2 (0.53) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL28369117 0.77 RELA (0.45) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL97921 0.77 CYP1A2 (0.49) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2097935 0.77 RELA (0.45) CYP1A2CYP2C9FBP1CHATCHRM5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 CN disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 CN disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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 (2 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885CYP2C9 202/4885FBP1 2030/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885CYP2C9 202/4885FBP1 2030/4885

“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.