SCHEMBL796628

SCHEMBL796628

COCCOc1cccnc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.46
PTPN1 P18031 1/20 0.46
MYC P01106 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
PTK2B Q14289 1/20 0.42
LMNA P02545 1/20 0.41
GRM4 Q14833 1/20 0.41
CTSA P10619 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
Hydrazine SCHEMBL28296611 0.97 KDM4E (0.45) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL6042801 0.92 PTPN1 (0.51) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL28287263 0.86 IKBKB (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL286897 0.85 PTPN1 (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL8881039 0.84 PTPN1 (0.55) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL2276390 0.84 PTPN1 (0.49) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1138239 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL27480442 0.83 PTPN1 (0.60) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL5513972 0.82 LMNA (0.54) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL126180 0.81 MEN1 (0.54) KDM4EALDH1A1MAPTALOX15L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
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 KDM4E 3067/4885ALDH1A1 439/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885ALDH1A1 439/4885MAPT 2602/4885

“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.