SCHEMBL795546

SCHEMBL795546

CN(c1ccc(F)c(Cl)c1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
HDAC6 Q9UBN7 6/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
SCN9A Q15858 1/20 0.34
PTGES O14684 2/20 0.33
HDAC4 P56524 2/20 0.33
TRPV3 Q8NET8 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32
RET P07949 1/20 0.32
EPHX2 P34913 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL796075 0.89 ALDH1A1 (0.38) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL796232 0.88 SCN9A (0.37) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL796334 0.88 SCN9A (0.39) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL796048 0.87 SCN9A (0.38) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL808037 0.86 DHFR (0.38) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL795542 0.86 SCN9A (0.41) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL795996 0.85 SCN9A (0.38) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL795199 0.84 HDAC1 (0.34) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL796557 0.83 SCN9A (0.38) ALDH1A1RECQLHDAC6HDAC1HDAC8
SCHEMBL797201 0.82 SCN9A (0.37) ALDH1A1RECQLHDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
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-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US 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-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 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
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 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 439/4885RECQL 2888/4885HDAC6 130/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885RECQL 2888/4885HDAC6 130/4885

“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.