SCHEMBL23458256

SCHEMBL23458256

CC(C(=O)O)c1cc2cc(Cl)c(OCCCNC(=O)OC(C)(C)C)c(Cl)c2oc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP3A43 Q9HB55 1/20 0.42
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ SUCNR1 Q9BXA5 5/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL23440270 0.84 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL23440302 0.81 CYP1A1 (0.40) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
Hydrochloric Acid SCHEMBL23458251 0.81 PLAU (0.36) ALDH1A1HPGDCNR2
SCHEMBL23480144 0.73 CYP1A1 (0.43) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL23440307 0.70 CYP1A1 (0.44) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL4038788 0.70 STK17B (0.50) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL23440309 0.68 CYP1A1 (0.42) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL5961133 0.68 CA12 (0.44) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL5591652 0.67 PLAU (0.54) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43
SCHEMBL15084976 0.66 MAOA (0.40) CYP2D6CYP2C19CYP1A1CYP2B6CYP3A43

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-20230104758-A1 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2023-04-06 — — US disclosed
WO-2021110834-A2 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2021-06-10 — — 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-20230104758-A1 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING DAO, LOX, AOC2 CYP2D6 494/4885CYP2C19 641/4885CYP1A1 274/4885

“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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