SCHEMBL23099874

SCHEMBL23099874

CNCCOc1cc(C)c(C)c(F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTR1D P28221 2/20 0.35
▸ GAA P10253 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL4 Q8NA19 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL26359981 0.83 HTR1B (0.51) HTR1BALDH1A1KDM4EHTR1DL3MBTL4
SCHEMBL23099883 0.82 LOX (0.34) TIPARP
SCHEMBL23099875 0.79 KDM4E (0.46) HTR1BALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL23099870 0.74 TUBB1 (0.38) ALDH1A1GAA
SCHEMBL23099889 0.73 POLB (0.61) ALDH1A1KDM4E
SCHEMBL23099885 0.72 MAPT (0.49) TDP1L3MBTL1
SCHEMBL167871 0.71 HTR1B (0.49) HTR1BALDH1A1KDM4ERXFP1
SCHEMBL165584 0.68 RAF1 (0.42) HTR1BALDH1A1KDM4EHTR1DGAA
SCHEMBL22809542 0.67 RXFP1 (0.44) HTR1BALDH1A1KDM4EHTR1DRXFP1
SCHEMBL16255674 0.67 L3MBTL4 (0.50) HTR1BALDH1A1KDM4EHTR1DGAA

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 HTR1B 1165/4885ALDH1A1 1729/4885KDM4E 3278/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F HTR1B 1165/4885ALDH1A1 1729/4885KDM4E 3278/4885

“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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