SCHEMBL795842

SCHEMBL795842

COc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.51
SMN1; SMN2 Q16637 12/20 0.51
NPC1 O15118 11/20 0.51
TP53 P04637 10/20 0.51
HSD17B10 Q99714 7/20 0.51
KDM4E B2RXH2 6/20 0.51
GAA P10253 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.43

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) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL795197 0.89 RECQL (0.49) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL794754 0.89 NPC1 (0.46) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL797053 0.89 TP53 (0.59) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL795303 0.86 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL796384 0.85 NPC1 (0.42) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL797132 0.85 TP53 (0.40) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL795859 0.85 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL795372 0.85 RAB9A (0.42) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL795690 0.85 NPC1 (0.48) RAB9ASMN1; SMN2NPC1TP53HSD17B10

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