SCHEMBL796301

SCHEMBL796301

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CC4C(COC5CCCC5)C4C3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACACB O00763 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
SCHEMBL10287206 1.00 ALDH1A1 (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL808015 0.87 L3MBTL1 (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL795125 0.87 L3MBTL1 (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL795412 0.87 TSHR (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL15480827 0.86 ACACB (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL15477387 0.86 ACACB (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL17226436 0.86 ACACB (0.33) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL795308 0.86 L3MBTL1 (0.35) ALDH1A1NPSR1L3MBTL1MAPTNPC1
SCHEMBL796187 0.85 L3MBTL1 (0.37) ALDH1A1NPSR1L3MBTL1USP2LMNA
SCHEMBL808035 0.85 HRH4 (0.32) ALDH1A1NPSR1L3MBTL1USP2LMNA

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 ALDH1A1 439/4885NPSR1 101/4885L3MBTL1 4747/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885NPSR1 101/4885L3MBTL1 4747/4885

“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.