SCHEMBL796378

SCHEMBL796378

Cc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AHR P35869 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DKK1 O94907 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL796149 0.89 RAB9A (0.35) DHFRRAB9ASMN1; SMN2AHRHSD17B10
SCHEMBL795840 0.86 HDAC6 (0.44) HDAC4HDAC1HDAC6
SCHEMBL17226428 0.85 DKK1 (0.35) MAOAMAOBRAB9ASMN1; SMN2DKK1
SCHEMBL795780 0.84 SMN1; SMN2 (0.37) DHFRRAB9ASMN1; SMN2AHRHSD17B10
SCHEMBL796424 0.84 NPC1 (0.48) MAOAMAOBRAB9ASMN1; SMN2HSD17B10
SCHEMBL795503 0.83 NR1H4 (0.47) DHFRRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL795549 0.83 HDAC6 (0.41) RAB9AMAPTNPC1HDAC4HDAC1
SCHEMBL795194 0.83 KDM4E (0.42) RAB9ANPC1KDM4EHDAC4HDAC1
SCHEMBL796054 0.82 ALOX5AP (0.35) DHFRRAB9ASMN1; SMN2AHRHSD17B10
SCHEMBL795514 0.81 RAB9A (0.53) DHFRMAOAMAOBRAB9ASMN1; SMN2

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 14 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-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
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
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 DHFR 1553/4885MAOA 842/4885MAOB 583/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885MAOA 842/4885MAOB 583/4885

“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.