SCHEMBL796765

SCHEMBL796765

O=C(O)c1ccc(COCC(F)(F)F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
P4HTM Q9NXG6 6/20 0.53
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
P4HA1 P13674 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
SCHEMBL10328717 0.80 P4HTM (0.54) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL16169628 0.80 EGLN1 (0.64) P4HTML3MBTL1MAPTEGLN1
SCHEMBL16169779 0.80 P4HTM (0.67) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL1421636 0.80 KDM4E (0.59) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL1584427 0.79 P4HTM (0.61) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL287075 0.76 P4HTM (0.58) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL795970 0.76 ALDH1A1 (1.00) ALDH1A1L3MBTL1MEN1CYP3A4MAPT
SCHEMBL2631698 0.76 P4HTM (0.61) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL14357941 0.75 P4HTM (0.57) ALDH1A1P4HTMKDM4EL3MBTL1MEN1
SCHEMBL16428624 0.75 P4HTM (0.56) ALDH1A1P4HTMKDM4EL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885P4HTM 1564/4885KDM4E 3067/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885P4HTM 1564/4885KDM4E 3067/4885

“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.