SCHEMBL796300

SCHEMBL796300

CC(OCC(F)(F)F)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.32
HDAC6 Q9UBN7 6/20 0.32
HDAC1 Q13547 4/20 0.32
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PRKDC P78527 1/20 0.30
ATM Q13315 1/20 0.30
ATR Q13535 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
SCHEMBL795542 0.85 SCN9A (0.41) HDAC4HDAC6HDAC1S1PR1S1PR3
SCHEMBL795257 0.83 HDAC4 (0.35) HDAC4HDAC6HDAC1S1PR1S1PR3
SCHEMBL796172 0.83 KMT2A (0.39) HDAC4HDAC6HDAC1S1PR1
SCHEMBL795506 0.83 HDAC6 (0.38) HDAC6HDAC1S1PR1S1PR3HDAC8
SCHEMBL15477122 0.82 CASP3 (0.40) HDAC4HDAC6S1PR1S1PR3HDAC8
SCHEMBL10286922 0.82 S1PR1 (0.33) HDAC4HDAC6HDAC1S1PR1S1PR3
SCHEMBL15477342 0.82 HDAC6 (0.35) HDAC6HDAC1S1PR1S1PR3HDAC8
SCHEMBL796094 0.82 SCN9A (0.36) HDAC4HDAC6HDAC1S1PR1S1PR3
SCHEMBL15476937 0.81 GABRA5 (0.36) HDAC6HDAC1S1PR1HDAC8BCHE
SCHEMBL796303 0.81 GRM5 (0.37) HDAC4HDAC6S1PR1S1PR3HDAC8

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 13 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

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

“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.