SCHEMBL797424

SCHEMBL797424

O=C(O)c1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 16/20 0.60
▸ P4HA1 P13674 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL795541 0.83 MAPK1 (0.51) P4HTMKDM4EMAPK1L3MBTL1
SCHEMBL26049197 0.80 P4HTM (0.62) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL13954312 0.79 P4HTM (0.61) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL27911280 0.78 TYK2 (0.38) P4HTMKDM4EL3MBTL1
SCHEMBL18405340 0.78 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL30112058 0.78 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL796214 0.77 MAPK1 (0.44) P4HTMKDM4EMAPK1L3MBTL1
SCHEMBL22050225 0.76 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11396052 0.75 P4HTM (1.00) P4HTMKDM4EALDH1A1
SCHEMBL63831 0.74 P4HTM (0.56) P4HTMP4HA1MIFKDM4EALDH1A1

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 — — CN 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 P4HTM 1564/4885P4HA1 1090/4885MIF 858/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 P4HTM 1564/4885P4HA1 1090/4885MIF 858/4885

“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.

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