SCHEMBL795952

SCHEMBL795952

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.47
HTT P42858 7/20 0.47
TSHR P16473 5/20 0.47
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
APEX1 P27695 1/20 0.43
LMNA P02545 10/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRB2 P07550 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL796126 0.92 LMNA (0.53) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL796558 0.92 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL795802 0.91 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL15477347 0.90 GAA (0.42) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL797205 0.90 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL808231 0.88 LMNA (0.48) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL796560 0.88 LMNA (0.45) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL796230 0.87 ALDH1A1 (0.47) SMN1; SMN2HTTTSHRGAAALDH1A1
SCHEMBL796389 0.87 LMNA (0.48) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL795606 0.87 LMNA (0.42) NPC1RAB9ASMN1; SMN2HTTTSHR

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

“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.