SCHEMBL26220087

SCHEMBL26220087

C#CCOc1ccc([N+](=O)[O-])c(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
SNCA P37840 1/20 0.47
CA12 O43570 6/20 0.42
CA4 P22748 6/20 0.42
CA9 Q16790 6/20 0.42
CA1 P00915 2/20 0.42
GSTP1 P09211 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL21524958 0.87 SNCA (0.46) MAPTALDH1A1LMNASNCACA12
SCHEMBL19940215 0.87 SNCA (0.46) MAPTALDH1A1LMNASNCACA12
SCHEMBL22291692 0.83 MAPT (0.69) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL19940191 0.82 SNCA (0.46) MAPTALDH1A1LMNASNCACA12
SCHEMBL26220066 0.82 ALDH1A1 (0.44) MAPTALDH1A1LMNATSHRMAOB
SCHEMBL20982602 0.81 MAPT (0.66) MAPTALDH1A1LMNASNCACA12
SCHEMBL25532029 0.81 ATM (0.49) MAPTALDH1A1LMNASNCACA12
SCHEMBL27094332 0.81 SNCA (0.48) MAPTALDH1A1LMNASNCACA12
SCHEMBL27060536 0.79 SNCA (0.41) MAPTALDH1A1LMNASNCAKDM4E
SCHEMBL3277036 0.78 SNCA (0.46) MAPTALDH1A1LMNASNCACA12

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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 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 (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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP MAPT 4576/4885ALDH1A1 82/4885LMNA 4358/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP MAPT 4576/4885ALDH1A1 82/4885LMNA 4358/4885

“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.