SCHEMBL796172

SCHEMBL796172

CC(OCC(F)(F)F)c1ccc(-c2nc(-c3nc(N)nc(Nc4ccccc4)n3)no2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNA7 P36544 1/20 0.38
NPC1 O15118 3/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 7/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC1 Q13547 4/20 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
SCHEMBL795752 0.84 KMT2A (0.43) KMT2AMEN1LMNATDP1L3MBTL1
SCHEMBL796300 0.83 HDAC4 (0.32) HDAC4HDAC6HDAC1S1PR1
SCHEMBL795333 0.81 PIK3CA (0.41) KMT2AMEN1LMNATDP1L3MBTL1
SCHEMBL15477140 0.81 CHRNA7 (0.38) KMT2AMEN1CHRNA7NPC1MAPT
SCHEMBL796276 0.80 NPC1 (0.37) KMT2AMEN1LMNATDP1L3MBTL1
SCHEMBL795269 0.79 EPHX2 (0.39) KMT2AMEN1LMNATDP1L3MBTL1
SCHEMBL807919 0.75 MAPT (0.38) KMT2AMEN1L3MBTL1CHRNA7NPC1
SCHEMBL795379 0.73 ALOX5AP (0.46) KMT2AMEN1L3MBTL1CHRNA7NPC1
SCHEMBL795751 0.73 L3MBTL1 (0.45) KMT2AMEN1LMNATDP1L3MBTL1
SCHEMBL796482 0.73 KMT2A (0.43) KMT2AMEN1LMNATDP1L3MBTL1

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 10 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-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
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 KMT2A 3938/4885MEN1 4842/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885LMNA 4798/4885

“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.