SCHEMBL23099889

SCHEMBL23099889

Cc1cc(OCCN2CCOCC2)c(C(F)(F)F)c(F)c1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.53
▸ SYK P43405 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD5 P21918 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
SCHEMBL26359978 0.87 POLB (0.71) POLBALDH1A1SYKSMN1; SMN2NPC1
SCHEMBL23099868 0.80 POLB (0.41) POLBALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL14420826 0.77 POLB (0.67) POLBALDH1A1SYKSMN1; SMN2NPC1
SCHEMBL23099872 0.76 CNR2 (0.47) POLBMEN1KMT2AKDM4E
SCHEMBL14420763 0.76 POLB (1.00) POLBALDH1A1SYKSMN1; SMN2NPC1
SCHEMBL23099883 0.76 LOX (0.34) —
SCHEMBL22211959 0.75 POLB (0.57) POLBALDH1A1SYKSMN1; SMN2HTR2A
SCHEMBL171080 0.74 NPC1 (0.54) POLBALDH1A1SYKSMN1; SMN2HTR2A
SCHEMBL12291143 0.74 POLB (0.59) POLBALDH1A1SYKSMN1; SMN2HTR2C
SCHEMBL23099874 0.73 HTR1B (0.45) ALDH1A1KDM4E

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 POLB 3753/4885ALDH1A1 1729/4885SYK 1371/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F POLB 3753/4885ALDH1A1 1729/4885SYK 1371/4885

“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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