SCHEMBL4816679

SCHEMBL4816679

O=CN(O)C(CCc1ccccn1)CS(=O)(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.61
CYP3A4 P08684 3/20 0.59
MMP13 P45452 3/20 0.59
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 2/20 0.48
MMP14 P50281 2/20 0.44
ADAMTS4 O75173 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CTSS P25774 4/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL14252763 0.90 MMP7 (0.61) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252767 0.90 MMP7 (0.62) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL12463849 0.88 MMP7 (0.61) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252797 0.88 CYP3A4 (0.78) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252771 0.88 MMP7 (0.53) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252759 0.87 MMP13 (0.60) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252775 0.85 MMP7 (0.67) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL5883959 0.85 MMP7 (0.83) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252790 0.82 MMP7 (0.54) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252798 0.82 MMP13 (0.59) MMP7CYP3A4MMP13KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 US disclosed
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 MMP7 17/4885CYP3A4 328/4885MMP13 1/4885

“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.