SCHEMBL796555

SCHEMBL796555

COCCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3c(F)cccc3OC)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
TP53 P04637 6/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KA2 Q15349 1/20 0.35
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HTT P42858 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
ADORA2A P29274 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL795869 0.90 TP53 (0.38) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL797132 0.85 TP53 (0.40) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL796165 0.81 RAB9A (0.44) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15476973 0.80 NPC1 (0.41) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795303 0.76 SMN1; SMN2 (0.48) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795768 0.75 S1PR1 (0.43) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL796101 0.75 S1PR1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL795285 0.74 NPSR1 (0.38) ALDH1A1L3MBTL1
SCHEMBL796013 0.74 HDAC6 (0.37)
SCHEMBL795505 0.73 ALOX5AP (0.41) NPC1TP53RAB9ASMN1; 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
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 3204/4885TP53 4729/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885TP53 4729/4885RAB9A 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.