SCHEMBL26817972

SCHEMBL26817972

CCC(=O)Cn1c[n+](C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ RGS12 O14924 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ ALOX15 P16050 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RCE1 Q9Y256 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
Bromide SCHEMBL11567154 0.80 ALDH1A1 (0.51) ALDH1A1APAF1RAD52NPSR1KMT2A
Hydrochloric Acid SCHEMBL3854535 0.79 LMNA (0.53) ALDH1A1APAF1RAD52NPSR1KMT2A
SCHEMBL2947574 0.78 KMT2A (0.56) ALDH1A1APAF1RAD52NPSR1KMT2A
SCHEMBL29624504 0.78 KMT2A (0.56) ALDH1A1APAF1RAD52NPSR1KMT2A
Bromide SCHEMBL9327214 0.76 KMT2A (0.55) ALDH1A1APAF1RAD52NPSR1KMT2A
Iodide SCHEMBL2020293 0.76 KMT2A (0.55) ALDH1A1APAF1RAD52NPSR1KMT2A
Hydrochloric Acid SCHEMBL5144199 0.76 KMT2A (0.59) ALDH1A1APAF1RAD52NPSR1KMT2A
Iodide SCHEMBL29624922 0.76 KMT2A (0.55) ALDH1A1APAF1RAD52NPSR1KMT2A
SCHEMBL3697066 0.75 ALDH1A1 (0.56) ALDH1A1APAF1RAD52NPSR1KMT2A
Iodide SCHEMBL4381718 0.74 KMT2A (0.53) ALDH1A1APAF1RAD52NPSR1KMT2A

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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