SCHEMBL10032002

SCHEMBL10032002

Nc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3c(cc12)CCCC3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.75
TP53 P04637 9/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
RXFP1 Q9HBX9 1/20 0.75
ADORA2A P29274 1/20 0.74
POLB P06746 8/20 0.72
RORC P51449 1/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
CASP3 P42574 1/20 0.66
KLF5 Q13887 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
EEF2K O00418 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58

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
SCHEMBL429837 0.99 MAPT (0.74) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL424784 0.98 MAPT (0.72) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL13186366 0.88 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL18537666 0.87 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL22542452 0.87 MAPT (0.79) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL14969370 0.87 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL426553 0.87 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL22542446 0.86 MAPT (0.82) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL10134578 0.86 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL426251 0.86 MAPT (0.78) MAPTTP53SMN1; SMN2RXFP1ADORA2A

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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS TIPARP, CD38, PARP14 MAPT 1914/4885TP53 2170/4885SMN1; SMN2 4357/4885

“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.