SCHEMBL26818042

SCHEMBL26818042

C=C(CCn1c[n+](C)c2ccccc21)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RGS12 O14924 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX15 P16050 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ XDH P47989 1/20 0.33

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
SCHEMBL26817886 0.93 ALDH1A1 (0.39) RGS12CYP2D6CYP2C19CTDSP1KMT2A
SCHEMBL26817846 0.87 RGS12 (0.42) RGS12CYP2D6CYP2C19CTDSP1KMT2A
SCHEMBL13227444 0.72 ALDH1A1 (0.54) RGS12CYP2D6CYP2C19CTDSP1KMT2A
Bromide SCHEMBL14777635 0.71 XDH (0.52) RGS12CYP2D6CYP2C19CTDSP1KMT2A
Hydrochloric Acid SCHEMBL14778158 0.71 XDH (0.56) RGS12CYP2D6CYP2C19CTDSP1KMT2A
Iodide SCHEMBL14778925 0.71 XDH (0.52) RGS12CYP2D6CYP2C19CTDSP1KMT2A
SCHEMBL26817876 0.71 EGLN3 (0.56) ALDH1A1NPSR1ALOX15MAPTHTT
SCHEMBL3697066 0.71 ALDH1A1 (0.56) RGS12CYP2D6CYP2C19CTDSP1KMT2A
SCHEMBL26817860 0.68 ATM (0.47) RGS12KMT2AAPAF1RAD52MEN1
SCHEMBL3698835 0.68 ALDH1A1 (0.61) RGS12CYP2D6CYP2C19CTDSP1KMT2A

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 RGS12 1124/4885CYP2D6 3318/4885CYP2C19 2666/4885

“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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