SCHEMBL796334

SCHEMBL796334

CN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
HDAC1 Q13547 14/20 0.38
HDAC8 Q9BY41 14/20 0.38
HDAC6 Q9UBN7 14/20 0.38
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 1/20 0.34
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL795996 0.92 SCN9A (0.38) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL796075 0.92 ALDH1A1 (0.38) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL795542 0.91 SCN9A (0.41) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL796232 0.91 SCN9A (0.37) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL796048 0.89 SCN9A (0.38) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL795546 0.88 ALDH1A1 (0.36) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL795645 0.87 ACHE (0.40)
SCHEMBL795199 0.86 HDAC1 (0.34) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL808037 0.86 DHFR (0.38) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL797201 0.86 SCN9A (0.37) SCN9AHDAC1HDAC8HDAC6ALDH1A1

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 14 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
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 SCN9A 1051/4885HDAC1 288/4885HDAC8 1555/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885HDAC1 288/4885HDAC8 1555/4885

“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.