SCHEMBL20931031

SCHEMBL20931031

COC(=O)[C@@H](N)Cc1c[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.75
CYP2C19 P33261 1/20 0.72
PKM P14618 1/20 0.52
PKLR P30613 1/20 0.52
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TACR1 P25103 2/20 0.47
NQO2 P16083 1/20 0.47
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
DNMT1 P26358 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL22288107 1.00 PTPRA (0.75) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL22288108 1.00 PTPRA (0.75) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL5773295 0.91 PTPRA (0.61) PTPRACYP2C19MAPTALDH1A1NQO2
SCHEMBL4113355 0.91 PTPRA (0.61) PTPRACYP2C19MAPTALDH1A1NQO2
SCHEMBL7380735 0.90 PTPRA (0.73) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL30789181 0.86 PTPRA (1.00) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL3519524 0.86 PTPRA (1.00) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL145392 0.86 PTPRA (1.00) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL30381729 0.86 PTPRA (1.00) PTPRACYP2C19PKMPKLRMAPT
SCHEMBL2965137 0.86 PTPRA (1.00) PTPRACYP2C19PKMPKLRMAPT

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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
WO-2019078498-A1 AMATOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR 한국화학연구원 2019-04-25 WO 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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA PTPRA 845/4885CYP2C19 4855/4885PKM 4031/4885

“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.