SCHEMBL26426465

SCHEMBL26426465

COc1cc([N+](=O)[O-])c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.51
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLK1 P53350 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
FGFR3 P22607 7/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
KDR P35968 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACVR1 Q04771 1/20 0.40

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
SCHEMBL23153787 0.91 ALDH1A1 (0.48) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL517392 0.91 SIRT6 (0.49) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL30636459 0.91 MAPT (0.55) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL517969 0.91 MAPT (0.55) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL29661323 0.90 SIRT6 (0.48) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL22025605 0.90 SIRT6 (0.48) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL22025656 0.90 SIRT6 (0.48) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL29757768 0.90 SIRT6 (0.48) SIRT6MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL310087 0.89 ALDH1A1 (0.48) SIRT6MAPTALDH1A1SMN1; SMN2PLK1
SCHEMBL22025936 0.89 SIRT6 (0.47) SIRT6MAPTALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US 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 (1 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 SIRT6 2639/4885MAPT 2834/4885ALDH1A1 4788/4885

“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.