SCHEMBL795573

SCHEMBL795573

COC(=O)c1ccn(CC(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17438035 0.86 KMT2A (0.52) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL24724105 0.85 CYP1A2 (0.45) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL17454395 0.82 ALDH1A1 (0.37) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL297632 0.80 SMN1; SMN2 (0.48) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL10133288 0.80 ALDH1A1 (0.63) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL28155554 0.79 KMT2A (0.42) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL25786633 0.79 RAB9A (0.57) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL4791335 0.79 KMT2A (0.38) NPC1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL15897960 0.78 KMT2A (0.53) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL17452563 0.78 HIF1A (0.38) NPC1KMT2ARAB9AMEN1POLB

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 NPC1 3204/4885KMT2A 3938/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885KMT2A 3938/4885RAB9A 4766/4885

“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.