SCHEMBL796387

SCHEMBL796387

CCOc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3cccc(C)c3)n2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
HSD17B10 Q99714 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
USP2 O75604 2/20 0.47
TTR P02766 1/20 0.47
HPGD P15428 3/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 3/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 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
SCHEMBL794639 0.90 NPC1 (0.57) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL15476441 0.88 S1PR1 (0.46) SMN1; SMN2NPC1HSD17B10ALDH1A1HPGD
SCHEMBL796174 0.84 NPC1 (0.43) SMN1; SMN2NPC1HSD17B10MAPTALDH1A1
SCHEMBL808328 0.83 NPC1 (0.46) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL795424 0.82 NPSR1 (0.51) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL795922 0.81 NPC1 (0.50) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL15477117 0.81 NPC1 (0.46) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL795197 0.79 RECQL (0.49) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL794754 0.79 NPC1 (0.46) SMN1; SMN2NPC1HSD17B10KDM4EMAPT
SCHEMBL795842 0.79 RAB9A (0.51) SMN1; SMN2NPC1HSD17B10KDM4EMAPT

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 SMN1; SMN2 1684/4885NPC1 3204/4885HSD17B10 1535/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885NPC1 3204/4885HSD17B10 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.