SCHEMBL7017780

SCHEMBL7017780

CN(CCCN)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CCR5 P51681 1/20 0.47
HTR7 P34969 3/20 0.46
PTGES O14684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
APOBEC3G Q9HC16 1/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL11184672 0.85 CCR5 (0.56) TDP1CCR5PTGESALDH1A1LMNA
SCHEMBL5190090 0.84 TDP1 (0.71) TDP1CCR5PTGESALDH1A1LMNA
SCHEMBL3621820 0.82 TDP1 (0.50) TDP1CCR5PTGESALDH1A1LMNA
SCHEMBL1850325 0.81 APOBEC3G (0.50) TDP1CCR5PTGESALDH1A1LMNA
SCHEMBL17479365 0.81 GBA1 (0.44) ALDH1A1GAASMN1; SMN2
SCHEMBL4663012 0.81 TDP1 (0.62) TDP1CCR5PTGESMAPT
SCHEMBL411205 0.81 AOC3 (0.53) TDP1CCR5ALDH1A1LMNA
SCHEMBL8356647 0.81 TDP1 (0.62) TDP1CCR5PTGESMAPT
SCHEMBL9289307 0.79 TDP1 (0.59) TDP1CCR5PTGESALDH1A1LMNA
SCHEMBL16222119 0.79 CCR5 (0.51) TDP1CCR5PTGESALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649618-B2 Prevention and/or therapy of ischaemia and reperfusion damage; poly(ADP-ribose)-synthetase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
EP-1303497-A1 SUBSTITUTED AMIDOALKYL-URACILS AS PARP INHIBITORS Bayer Aktiengesellschaft (DE) 2003-04-23 EP disclosed
US-20030022905-A1 Substituted amidoalkyl-uracils and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-30 US disclosed
WO-2002006247-A1 SUBSTITUTED AMIDOALKYL-URACILS AS PARP INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-24 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-20030022905-A1 Substituted amidoalkyl-uracils and their use UNG, UMPS, TYMP TDP1 74/4885CCR5 4558/4885HTR7 2993/4885

“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.