SCHEMBL23099892

SCHEMBL23099892

Cc1cc(C2CC2)c(C(F)(F)F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.45
SLC9A1 P19634 3/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2C P28335 4/20 0.38
OPRL1 P41146 2/20 0.34
TRPA1 O75762 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR2A P28223 4/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
CYP17A1 P05093 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1E P28566 1/20 0.33

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
SCHEMBL13878821 0.85 NOTUM (0.41) NOTUMSLC9A1KCNH2HTR2C
SCHEMBL18272005 0.85 NOTUM (0.41) NOTUMSLC9A1KCNH2HTR2COPRL1
SCHEMBL18272006 0.78 SLC9A1 (0.38) NOTUMSLC9A1KCNH2HTR2COPRL1
SCHEMBL16957247 0.76 NOTUM (0.54) NOTUMSLC9A1KCNH2HTR2COPRL1
SCHEMBL19199750 0.76 NOTUM (0.48) NOTUMHTR2CTRPA1SLC6A3SLC6A2
SCHEMBL13199171 0.74 PGK1 (0.36) NOTUMTRPA1
SCHEMBL30867030 0.74 PGK1 (0.36) NOTUMTRPA1
SCHEMBL18272080 0.73 NOTUM (0.39) NOTUMSLC9A1KCNH2HTR2CTRPA1
SCHEMBL13141203 0.71 NOTUM (0.49) NOTUMSLC9A1KCNH2HTR2COPRL1
SCHEMBL3829034 0.71 NOTUM (0.37) NOTUMHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
WO-2021047622-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-18 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-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F NOTUM 201/4885SLC9A1 71/4885KCNH2 58/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F NOTUM 201/4885SLC9A1 71/4885KCNH2 58/4885

“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.