SCHEMBL808019

SCHEMBL808019

CN(c1ccccc1)c1nc(NCC(F)(F)F)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MGAT2 Q10469 1/20 0.37
GABRA5 P31644 2/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC4 P56524 3/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC8 Q9BY41 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HDAC5 Q9UQL6 2/20 0.33
DGAT1 O75907 1/20 0.33
EPHX2 P34913 1/20 0.33
S1PR1 P21453 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 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
SCHEMBL795542 0.87 SCN9A (0.41) SCN9ANPSR1MGAT2GABRA5HDAC6
SCHEMBL795751 0.84 L3MBTL1 (0.45) NPSR1MGAT2GABRA5HDAC6HDAC4
SCHEMBL796094 0.80 SCN9A (0.36) SCN9ANPSR1GABRA5HDAC6HDAC4
SCHEMBL794771 0.79 HDAC4 (0.40) HDAC6HDAC4HDAC1S1PR1
SCHEMBL15476937 0.79 GABRA5 (0.36) SCN9ANPSR1GABRA5HDAC6HDAC1
SCHEMBL796232 0.79 SCN9A (0.37) SCN9ANPSR1GABRA5HDAC6ALDH1A1
SCHEMBL796334 0.79 SCN9A (0.39) SCN9ANPSR1HDAC6ALDH1A1RECQL
SCHEMBL795996 0.78 SCN9A (0.38) SCN9ANPSR1MGAT2GABRA5HDAC6
SCHEMBL796075 0.77 ALDH1A1 (0.38) SCN9ANPSR1GABRA5HDAC6HDAC4
SCHEMBL10287779 0.77 NPSR1 (0.40) SCN9ANPSR1MGAT2GABRA5HDAC6

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
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
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 1051/4885NPSR1 101/4885MGAT2 1882/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885NPSR1 101/4885MGAT2 1882/4885

“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.