SCHEMBL796097

SCHEMBL796097

CCOc1cccnc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TTR P02766 1/20 0.40
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
S1PR3 Q99500 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL796384 0.90 NPC1 (0.42) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL795834 0.90 NPC1 (0.35) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL794554 0.89 NPC1 (0.34) S1PR1NPSR1KDM4EHSD17B10NPC1
SCHEMBL797339 0.87 SMN1; SMN2 (0.34) NPSR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL795276 0.86 SMN1; SMN2 (0.35) NPSR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL795929 0.85 PKM (0.39) NPSR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL796311 0.84 NPSR1 (0.42) S1PR1NPSR1TTRKDM4EHSD17B10
SCHEMBL795610 0.84 S1PR1 (0.33) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL796278 0.84 GRM5 (0.39) NPSR1NPC1RAB9AMAPTALDH1A1
SCHEMBL796206 0.84 SMN1; SMN2 (0.34) NPSR1KDM4EHSD17B10NPC1RAB9A

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 S1PR1 2345/4885NPSR1 101/4885TTR 2406/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885NPSR1 101/4885TTR 2406/4885

“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.