SCHEMBL794639

SCHEMBL794639

COc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3cccc(C)c3)n2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.57
RAB9A P51151 11/20 0.57
SMN1; SMN2 Q16637 11/20 0.57
TP53 P04637 9/20 0.57
HSD17B10 Q99714 9/20 0.57
ALDH1A1 P00352 8/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
KMT2A Q03164 2/20 0.57
RELA Q04206 2/20 0.57
KDM4E B2RXH2 8/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 5/20 0.41

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
SCHEMBL15477117 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL808328 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL15476441 0.90 S1PR1 (0.46) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795842 0.90 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795922 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL796387 0.90 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795197 0.89 RECQL (0.49) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL794754 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL15476973 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL796174 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53HSD17B10

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.