SCHEMBL23759793

SCHEMBL23759793

Cc1cc([N+](=O)[O-])c(C)cc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
ALDH1A1 P00352 8/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CTSB P07858 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3174477 0.87 MAPT (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29788508 0.87 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21001151 0.87 MAPT (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23759788 0.87 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1026785 0.87 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22942876 0.84 HTT (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23153812 0.84 HTT (0.58) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5326191 0.83 MAPT (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28135630 0.83 KDM4E (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10126836 0.83 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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-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
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 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 (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 MAPT 2834/4885ALDH1A1 4788/4885CYP1A2 2525/4885

“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.