SCHEMBL795256

SCHEMBL795256

COCCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COS(C)(=O)=O)nc3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
SMPD1 P17405 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
CFTR P13569 1/20 0.30

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
SCHEMBL796101 0.87 S1PR1 (0.41) ALOX5APMAPTHDAC6BCHEACHE
SCHEMBL17220193 0.87 CA2 (0.33) CA2CA9HDAC6CA12CA1
SCHEMBL796013 0.85 HDAC6 (0.37) ALOX5APHDAC6
SCHEMBL795505 0.81 ALOX5AP (0.41) ALOX5APMAPTBCHEACHESMPD1
SCHEMBL795285 0.79 NPSR1 (0.38) ALOX5APHDAC6BCHEACHEATR
SCHEMBL796180 0.78 ALOX5AP (0.34) ALOX5APMAPTHDAC6BCHEACHE
SCHEMBL796165 0.74 RAB9A (0.44) MAPT
SCHEMBL796447 0.74 PIK3CA (0.38) ALOX5APMAPTBCHEACHEATR
SCHEMBL796555 0.73 NPC1 (0.36) CA2CA9MAPTCA12CA1
SCHEMBL10287193 0.72 S1PR1 (0.33) ALOX5APHDAC6BCHEACHE

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 6 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-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
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 ALOX5AP 305/4885CA2 1817/4885CA9 4303/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885CA2 1817/4885CA9 4303/4885

“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.