SCHEMBL805373

SCHEMBL805373

Cc1nc(NCc2ccccc2)cc(N[C@H]2CC[C@@H](COS(N)(=O)=O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.44
UBA3 Q8TBC4 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
CCNT1 O60563 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
VCP P55072 6/20 0.37
HRH4 Q9H3N8 2/20 0.37
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL782547 0.79 NAE1 (0.70) NAE1UBA3
SCHEMBL18540609 0.77 NAE1 (0.57) NAE1UBA3LMNAHTTALDH1A1
SCHEMBL12451869 0.74 NAE1 (0.70) NAE1UBA3
SCHEMBL805406 0.74 NAE1 (0.45) NAE1UBA3CYP1A2CYP2D6CCNT1
SCHEMBL10283687 0.73 NAE1 (0.48) NAE1UBA3CYP1A2CYP2D6CCNT1
SCHEMBL2879589 0.70 NAE1 (0.49) NAE1UBA3
SCHEMBL2879594 0.70 NAE1 (0.49) NAE1UBA3
SCHEMBL10283692 0.69 NAE1 (0.64) NAE1UBA3
SCHEMBL12452314 0.68 NAE1 (0.45) NAE1UBA3
SCHEMBL805365 0.67 NAE1 (0.48) NAE1UBA3

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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885SMN1; SMN2 753/4885

“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.