SCHEMBL26817860

SCHEMBL26817860

C=C(Cn1c(C)[n+](C)c2ccccc21)N=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ RGS12 O14924 3/20 0.41
▸ APOBEC3A P31941 3/20 0.41
▸ APOBEC3G Q9HC16 3/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ APAF1 O14727 2/20 0.30
▸ USP2 O75604 2/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ IDE P14735 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL26817834 0.76 LMNA (0.50) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL26817846 0.76 RGS12 (0.42) RGS12KMT2AMEN1SMN1; SMN2APAF1
SCHEMBL3457692 0.71 ATM (0.52) ATMRGS12APOBEC3AAPOBEC3GPTPN1
SCHEMBL18968650 0.69 KDM4E (0.58) ATMRGS12APOBEC3AAPOBEC3GTSHR
SCHEMBL26818042 0.68 RGS12 (0.40) RGS12KMT2AMEN1SMN1; SMN2APAF1
SCHEMBL15156669 0.68 ATM (0.50) ATMRGS12APOBEC3AAPOBEC3GPTPN1
SCHEMBL26817886 0.67 ALDH1A1 (0.39) RGS12KMT2AMEN1SMN1; SMN2APAF1
Iodide SCHEMBL5143883 0.65 ATM (0.47) ATMRGS12APOBEC3AAPOBEC3GPTPN1
SCHEMBL26817872 0.64 LMNA (0.50) PKMTSHRSMN1; SMN2LMNAAPAF1
SCHEMBL26817828 0.64 TDP1 (0.50) SMN1; SMN2LMNA

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 ATM 2105/4885RGS12 1124/4885APOBEC3A 2199/4885

“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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