SCHEMBL797132

SCHEMBL797132

COc1cccc(F)c1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KA2 Q15349 1/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL15476973 0.90 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795869 0.87 TP53 (0.38) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795842 0.85 RAB9A (0.51) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL796555 0.85 NPC1 (0.36) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL797064 0.83 NPC1 (0.51) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL796384 0.82 NPC1 (0.42) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL794754 0.81 NPC1 (0.46) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL793651 0.81 RAB9A (0.43) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795470 0.80 CASP3 (0.37) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795859 0.80 SMN1; SMN2 (0.47) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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 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.