SCHEMBL1048398

SCHEMBL1048398

[CH2]C=CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TAAR1 Q96RJ0 1/20 0.51
ACP3 P15309 1/20 0.51
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
MIF P14174 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL1048397 1.00 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL27628915 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL29624531 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL28743537 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL28743534 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL9802295 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL10263844 0.82 IDO1 (0.59) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL1330066 0.81 TAAR1 (0.55) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL5703037 0.79 IDO1 (0.59) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL39835 0.79 TAAR1 (0.56) IDO1TAAR1ACP3HTR2AHTR2B

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 1385/4885ACP3 3877/4885
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 1385/4885ACP3 3877/4885

“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.