SCHEMBL796311

SCHEMBL796311

CCOc1ncccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
TTR P02766 1/20 0.42
HSD17B10 Q99714 7/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37

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
SCHEMBL795372 0.90 RAB9A (0.42) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL10287786 0.89 SCN9A (0.37) NPSR1TTRHSD17B10ALDH1A1KDM4E
SCHEMBL796455 0.86 NPC1 (0.40) NPSR1HSD17B10ALDH1A1HPGDMEN1
SCHEMBL796383 0.85 NPC1 (0.42) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL796097 0.84 S1PR1 (0.40) NPSR1TTRHSD17B10ALDH1A1HPGD
SCHEMBL796711 0.84 NPC1 (0.38) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL795724 0.84 NPC1 (0.39) NPSR1HSD17B10ALDH1A1HPGDMEN1
SCHEMBL795488 0.84 GRM5 (0.41) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL795411 0.82 PKM (0.39) NPSR1HSD17B10ALDH1A1HPGDMEN1
SCHEMBL796525 0.81 GRM5 (0.40) NPSR1HSD17B10ALDH1A1HPGDMEN1

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 NPSR1 101/4885TTR 2406/4885HSD17B10 1535/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPSR1 101/4885TTR 2406/4885HSD17B10 1535/4885

“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.