SCHEMBL795303

SCHEMBL795303

CCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccccc3OC)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.48
RAB9A P51151 13/20 0.48
NPC1 O15118 12/20 0.48
TP53 P04637 10/20 0.48
HSD17B10 Q99714 9/20 0.48
KDM4E B2RXH2 8/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 4/20 0.45
TSHR P16473 4/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 5/20 0.44
MEN1 O00255 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
KMT2A Q03164 2/20 0.44
RELA Q04206 2/20 0.44

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
SCHEMBL795424 0.91 NPSR1 (0.51) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795768 0.90 S1PR1 (0.43) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795667 0.88 S1PR1 (0.42) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795869 0.86 TP53 (0.38) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795842 0.86 RAB9A (0.51) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795928 0.85 GRM5 (0.44) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL797129 0.83 NR1H4 (0.53) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL795942 0.81 NPC1 (0.57) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL796933 0.80 NPC1 (0.42) RAB9ANPC1TP53L3MBTL1MAPT
SCHEMBL794639 0.79 NPC1 (0.57) SMN1; SMN2RAB9ANPC1TP53HSD17B10

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 SMN1; SMN2 1684/4885RAB9A 4766/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885RAB9A 4766/4885NPC1 3204/4885

“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.