SCHEMBL795257

SCHEMBL795257

CC(OCC(F)(F)F)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.35
HDAC1 Q13547 7/20 0.35
HDAC6 Q9UBN7 6/20 0.35
CNR2 P34972 1/20 0.31
S1PR1 P21453 2/20 0.31
MGAT2 Q10469 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
DHFR P00374 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
SCHEMBL808016 0.86 STAT3 (0.38) HDAC4HDAC1CNR2
SCHEMBL796300 0.83 HDAC4 (0.32) HDAC4HDAC1HDAC6S1PR1S1PR3
SCHEMBL796822 0.83 HCAR2 (0.33) HDAC4S1PR1S1PR3DHFR
SCHEMBL795949 0.83 HDAC4 (0.33) HDAC4HDAC1S1PR1S1PR3S1PR5
SCHEMBL797277 0.82 CASP3 (0.45) HDAC4HDAC1S1PR1S1PR3S1PR5
SCHEMBL795603 0.82
SCHEMBL797169 0.80 NPC1 (0.33)
SCHEMBL795563 0.79 HDAC4 (0.42) HDAC4HDAC1HDAC6DHFR
SCHEMBL796527 0.79 GRM5 (0.38) DHFR
SCHEMBL808020 0.79 SCN9A (0.34) HDAC4HDAC6DHFR

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 HDAC4 781/4885HDAC1 288/4885HDAC6 130/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC4 781/4885HDAC1 288/4885HDAC6 130/4885

“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.