SCHEMBL5916456

SCHEMBL5916456

C#Cc1ccc(N2CCN(S(=O)(=O)/C=C/CCCc3ncccn3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP7 P09237 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ PARP1 P09874 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CHRM1 P11229 2/20 0.33
▸ SMO Q99835 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL5916458 1.00 MMP7 (0.42) MMP7CYP3A4MMP13PARP1USP2
SCHEMBL5916453 1.00 MMP7 (0.42) MMP7CYP3A4MMP13PARP1USP2
SCHEMBL5916509 0.87 CYP3A4 (0.40) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6645919 0.87 MMP7 (0.40) MMP7CYP3A4MMP13PARP1USP2
SCHEMBL5916508 0.87 CYP3A4 (0.40) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916423 0.85 MMP7 (0.44) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916421 0.85 MMP7 (0.44) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6650377 0.85 MMP7 (0.57) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6806731 0.85 MMP7 (0.57) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6645607 0.85 MMP7 (0.57) MMP7CYP3A4MMP13USP2KDM4E

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-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 — — US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 — — US disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 — — 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 (2 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-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 MMP7 17/4885CYP3A4 264/4885MMP13 1/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 MMP7 17/4885CYP3A4 277/4885MMP13 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.

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