SCHEMBL26817886

SCHEMBL26817886

C=C(CCCn1c[n+](C)c2ccccc21)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ XDH P47989 1/20 0.32

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
SCHEMBL26818042 0.93 RGS12 (0.40) ALDH1A1APAF1RAD52NPSR1RGS12
SCHEMBL26817846 0.85 RGS12 (0.42) ALDH1A1APAF1RAD52NPSR1RGS12
SCHEMBL13227444 0.77 ALDH1A1 (0.54) ALDH1A1APAF1RAD52NPSR1RGS12
SCHEMBL26817874 0.72 TDP1 (0.53) NPSR1KMT2AMEN1MAPTHTT
SCHEMBL3698835 0.72 ALDH1A1 (0.61) ALDH1A1APAF1RAD52NPSR1RGS12
Hydrochloric Acid SCHEMBL14777890 0.72 ALDH1A1 (0.50) ALDH1A1APAF1RAD52NPSR1RGS12
Iodide SCHEMBL14777828 0.72 ALDH1A1 (0.47) ALDH1A1APAF1RAD52NPSR1RGS12
Bromide SCHEMBL5143679 0.71 ALDH1A1 (0.59) ALDH1A1APAF1RAD52NPSR1RGS12
SCHEMBL12558261 0.71 ALDH1A1 (0.63) ALDH1A1APAF1RAD52NPSR1RGS12
Fluoride Ion SCHEMBL9329660 0.71 ALDH1A1 (0.59) ALDH1A1APAF1RAD52NPSR1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 — — 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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING PTMS, CBS, CHAMP1 ALDH1A1 1808/4885APAF1 1768/4885RAD52 4150/4885

“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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