SCHEMBL796946

SCHEMBL796946

CC(C)C(=O)NC1CCC(c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
CACNA1C Q13936 1/20 0.38
FASN P49327 1/20 0.38
SMO Q99835 7/20 0.37
GABRA1 P14867 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
SMYD3 Q9H7B4 2/20 0.35
PRCP P42785 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL796574 0.87 EPHX2 (0.38) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL794944 0.86 SMYD3 (0.39) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL796245 0.85 LIPG (0.42) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL796183 0.85 SMYD3 (0.38) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL795401 0.83 SMN1; SMN2 (0.49) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL795712 0.83 NPC1 (0.37) EPHX2SMOGABRA1GABRA3GABRB2
SCHEMBL795636 0.82 NPC1 (0.38) GABRA1GABRA3GABRB2TSHRSMN1; SMN2
SCHEMBL796198 0.82 SMO (0.47) EPHX2KCNH2CYP3A4CACNA1CSMO
SCHEMBL12467074 0.81 NPC1 (0.49) CYP3A4TSHRSMN1; SMN2
SCHEMBL795462 0.80 NPC1 (0.38) SMOTSHRSMN1; SMN2

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 EPHX2 1549/4885KCNH2 830/4885CYP3A4 120/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EPHX2 1549/4885KCNH2 830/4885CYP3A4 120/4885

“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.