SCHEMBL6808518

SCHEMBL6808518

O=S(=O)(C=CCCCc1ncccn1)N1CCN(c2ncc(-c3ccccn3)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
SMO Q99835 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MMP7 P09237 1/20 0.34
USP2 O75604 1/20 0.33
GBA1 P04062 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL6802013 1.00 SLC6A7 (0.38) SLC6A7SMN1; SMN2CNR2LMNAKDM4E
SCHEMBL6807457 0.89 CNR2 (0.51) CNR2LMNAKDM4EALDH1A1MAPT
SCHEMBL6646199 0.89 CNR2 (0.51) CNR2LMNAKDM4EALDH1A1MAPT
SCHEMBL6803438 0.85 SLC6A7 (0.40) SLC6A7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6803436 0.85 SLC6A7 (0.40) SLC6A7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6803441 0.85 SLC6A7 (0.40) SLC6A7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL5916480 0.84 LMNA (0.39) SMN1; SMN2LMNAKDM4EALDH1A1NPC1
SCHEMBL6643214 0.84 MMP7 (0.42) SMN1; SMN2LMNAKDM4EALDH1A1SMO
SCHEMBL5916479 0.84 LMNA (0.39) SMN1; SMN2LMNAKDM4EALDH1A1NPC1
SCHEMBL5916483 0.84 LMNA (0.39) SMN1; SMN2LMNAKDM4EALDH1A1NPC1

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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 SLC6A7 236/4885SMN1; SMN2 3163/4885CNR2 678/4885

“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.