SCHEMBL796032

SCHEMBL796032

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CC[C@@H](OCC(F)(F)F)C3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
TTR P02766 1/20 0.34
SCD O00767 2/20 0.33
PKM P14618 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
LIPG Q9Y5X9 2/20 0.31
POLB P06746 1/20 0.31
LPL P06858 1/20 0.31
LIPC P11150 1/20 0.31
MAPT P10636 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL797182 1.00 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1LMNATTR
SCHEMBL808339 0.95 L3MBTL1 (0.37) L3MBTL1ALDH1A1NPSR1LMNASCD
SCHEMBL808338 0.93 ALDH1A1 (0.35) L3MBTL1ALDH1A1NPSR1LMNAPKM
SCHEMBL794854 0.85 ACACB (0.39) L3MBTL1ALDH1A1NPSR1POLBMAPT
SCHEMBL796262 0.85 ACACB (0.39) L3MBTL1ALDH1A1NPSR1POLBMAPT
SCHEMBL794909 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1LMNAPKM
SCHEMBL796022 0.83 CARM1 (0.38) L3MBTL1ALDH1A1NPSR1LMNAUSP2
SCHEMBL795308 0.82 L3MBTL1 (0.35) L3MBTL1ALDH1A1NPSR1PKMMAPT
SCHEMBL15480825 0.82 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL795871 0.82 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1LMNAMAPT

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 11 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
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 L3MBTL1 4747/4885ALDH1A1 439/4885NPSR1 101/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885NPSR1 101/4885

“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.