SCHEMBL6397361

SCHEMBL6397361

[CH2]CCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.81
ALDH1A1 P00352 12/20 0.81
POLB P06746 6/20 0.81
PKM P14618 5/20 0.81
HPGD P15428 7/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
RECQL P46063 2/20 0.74
KDM4E B2RXH2 1/20 0.74
APEX1 P27695 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 2/20 0.72
LMNA P02545 8/20 0.70
MAPK1 P28482 1/20 0.70
BLM P54132 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 7/20 0.47
AGTR1 P30556 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MCL1 Q07820 3/20 0.47

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
SCHEMBL5243197 0.84 MAPT (1.00) MAPTALDH1A1POLBPKMHPGD
SCHEMBL5283971 0.64 MAPT (0.89) MAPTALDH1A1POLBPKMHPGD
SCHEMBL6391137 0.64 MAPT (0.71) MAPTALDH1A1POLBPKMHPGD
SCHEMBL15679883 0.64 MAPT (0.82) MAPTALDH1A1POLBPKMHPGD
SCHEMBL15426116 0.64 MAPT (0.69) MAPTALDH1A1POLBPKMHPGD
SCHEMBL8156930 0.63 MAPT (0.71) MAPTALDH1A1POLBPKMHPGD
SCHEMBL10036668 0.63 MIF (1.00) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL14959208 0.62 MAPT (0.69) MAPTALDH1A1POLBPKMHPGD
SCHEMBL15426114 0.62 MAPT (0.70) MAPTALDH1A1POLBPKMHPGD
SCHEMBL5281834 0.62 MAPT (0.74) MAPTALDH1A1POLBPKMHPGD

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-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed

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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP MAPT 1681/4885ALDH1A1 2627/4885POLB 2997/4885

“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.