SCHEMBL1047716

SCHEMBL1047716

[CH]=C/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.56
MAOB P27338 8/20 0.47
P4HB P07237 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
MAOA P21397 1/20 0.43
BACE1 P56817 1/20 0.43
TNF P01375 2/20 0.42
IL6 P05231 1/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL1047717 1.00 NFKB1 (0.56) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL1403287 0.82 NFKB1 (0.59) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL1403288 0.82 NFKB1 (0.59) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL30584115 0.82 NFKB1 (0.59) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL6418952 0.79 MAOB (0.52) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL7141613 0.78 NFKB1 (0.60) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL7141617 0.78 NFKB1 (0.60) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL637114 0.78 NFKB1 (0.53) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL5672248 0.77 NFKB1 (0.58) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL1044013 0.77 NFKB1 (0.58) NFKB1MAOBP4HBABCG2GRIN2D

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 5 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
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 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 NFKB1 1225/4885MAOB 1633/4885P4HB 503/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NFKB1 1225/4885MAOB 1633/4885P4HB 503/4885

“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.