SCHEMBL808037

SCHEMBL808037

CN(c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1)c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
HDAC1 Q13547 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
SCN9A Q15858 2/20 0.34
TRPV3 Q8NET8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
BACE1 P56817 1/20 0.33
HDAC5 Q9UQL6 3/20 0.33
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
GRM5 P41594 1/20 0.32
S1PR1 P21453 2/20 0.32
STAT3 P40763 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 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
SCHEMBL795199 0.93 HDAC1 (0.34) HDAC1HDAC8HDAC6SCN9ATRPV3
SCHEMBL796557 0.91 SCN9A (0.38) HDAC1HDAC8HDAC6SCN9ATRPV3
SCHEMBL796232 0.89 SCN9A (0.37) HDAC1HDAC8HDAC6SCN9ANPSR1
SCHEMBL797201 0.87 SCN9A (0.37) HDAC1HDAC8HDAC6SCN9ATRPV3
SCHEMBL796334 0.86 SCN9A (0.39) HDAC1HDAC8HDAC6SCN9ANPSR1
SCHEMBL795546 0.86 ALDH1A1 (0.36) HDAC1HDAC8HDAC6SCN9ATRPV3
SCHEMBL795542 0.84 SCN9A (0.41) HDAC1HDAC8HDAC6SCN9ANPSR1
SCHEMBL796048 0.84 SCN9A (0.38) HDAC1HDAC8HDAC6SCN9ATRPV3
SCHEMBL796075 0.83 ALDH1A1 (0.38) DHFRHDAC1HDAC8HDAC6SCN9A
SCHEMBL795996 0.82 SCN9A (0.38) HDAC1HDAC8HDAC6SCN9ANPSR1

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 8 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-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-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
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 DHFR 1553/4885HDAC1 288/4885HDAC8 1555/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885HDAC1 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.