SCHEMBL797053

SCHEMBL797053

COc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL795922 0.91 NPC1 (0.50) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL795842 0.89 RAB9A (0.51) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL795858 0.85 NPC1 (0.40) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL795425 0.84 NR1H4 (0.56) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL795939 0.84 NPC1 (0.60) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL796056 0.82 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL794639 0.81 NPC1 (0.57) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL794754 0.80 NPC1 (0.46) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL795197 0.80 RECQL (0.49) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL808328 0.80 NPC1 (0.46) TP53NPC1RAB9ASMN1; SMN2KMT2A

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 TP53 4729/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TP53 4729/4885NPC1 3204/4885RAB9A 4766/4885

“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.