SCHEMBL1044978

SCHEMBL1044978

[CH2]CC=CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MAOB P27338 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KIF11 P52732 1/20 0.37
KMT2A Q03164 1/20 0.37
MIF P14174 1/20 0.37
MAPT P10636 1/20 0.37
DAO P14920 2/20 0.36
SRD5A2 P31213 1/20 0.35

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
SCHEMBL1044976 1.00 IDO1 (0.47) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL1047720 0.85 IDO1 (0.44) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL1047721 0.85 IDO1 (0.44) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL28156047 0.78 IDO1 (0.46) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL24258373 0.78 IDO1 (0.53) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL28743578 0.78 IDO1 (0.48) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL28743574 0.78 IDO1 (0.48) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL28348088 0.78 IDO1 (0.53) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL27609898 0.78 IDO1 (0.48) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL1046511 0.77 TRPA1 (0.42) IDO1TAAR1MAOBMIF

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 7 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
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
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 IDO1 187/4885TAAR1 1385/4885MAOB 1633/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IDO1 187/4885TAAR1 1385/4885MAOB 1633/4885

“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.