SCHEMBL796696

SCHEMBL796696

FC(F)(F)COCc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.41
MGLL Q99685 1/20 0.39
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL25425192 0.85 ALDH1A1 (0.42) ALDH1A1GAAMAPTCYP2D6MGLL
SCHEMBL891457 0.81 ALDH1A1 (0.55) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL4837779 0.81 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL10485701 0.79 ALDH1A1 (0.53) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL25423021 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL15087211 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL31248038 0.76 MGLL (0.47) ALDH1A1GAAMAPTCYP2D6MGLL
SCHEMBL1387211 0.75
SCHEMBL11749020 0.74 ALDH1A1 (0.57) ALDH1A1GAAMAPTCYP2D6MAPK1
SCHEMBL15064216 0.74

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-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885GAA 3290/4885MAPT 2602/4885

“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.