SCHEMBL6647516

SCHEMBL6647516

O=S(=O)(CC(CCCc1ncccn1)NO)N1CCN(c2ncc(-c3ccccn3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.44
CYP3A4 P08684 1/20 0.42
MMP13 P45452 1/20 0.42
SLC6A7 Q99884 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CTSS P25774 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL6644919 0.90 MMP7 (0.53) MMP7CYP3A4MMP13SLC6A7KDM4E
SCHEMBL6644515 0.88 MMP7 (0.46) MMP7CYP3A4MMP13SLC6A7KDM4E
SCHEMBL6644045 0.86 CYP3A4 (0.43) MMP7CYP3A4MMP13SLC6A7KDM4E
SCHEMBL5916463 0.84 MMP7 (0.41) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6644519 0.82 MMP7 (0.66) MMP7CYP3A4MMP13SLC6A7KDM4E
SCHEMBL6646942 0.82 CYP3A4 (0.40) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6646743 0.81 LMNA (0.45) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6648549 0.81 CYP3A4 (0.40) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6671345 0.81 MMP7 (0.51) MMP7CYP3A4MMP13SLC6A7KDM4E
SCHEMBL6647835 0.81 SLC6A7 (0.41) MMP7CYP3A4MMP13SLC6A7KDM4E

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 3 patents. 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
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 MMP7 18/4885CYP3A4 288/4885MMP13 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.