SCHEMBL796302

SCHEMBL796302

CCS(=O)(=O)N1CC(c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 0.41
KCNT2 Q6UVM3 2/20 0.41
TSHR P16473 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 9/20 0.39
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 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
SCHEMBL15477286 0.94 SMN1; SMN2 (0.44) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL796519 0.91 LMNA (0.38) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL796126 0.91 LMNA (0.53) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL795438 0.90 GRM5 (0.48) LMNAHTTSMN1; SMN2GAAKCNT2
SCHEMBL15477390 0.89 GRM5 (0.38) LMNAHTTSMN1; SMN2GAAMAPK1
SCHEMBL15477246 0.88 SMN1; SMN2 (0.49) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL808231 0.86 LMNA (0.48) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL796192 0.84 LMNA (0.43) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL796230 0.84 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2GAAMAPK1
SCHEMBL797216 0.84 CYP2D6 (0.35) LMNASMN1; SMN2MAPK1TSHRGRM5

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 LMNA 4798/4885HTT 3966/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LMNA 4798/4885HTT 3966/4885RAB9A 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.