SCHEMBL6807027

SCHEMBL6807027

O=C(NO)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(-c3cccs3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.53
CYP3A4 P08684 1/20 0.48
MMP13 P45452 1/20 0.48
CTSS P25774 4/20 0.40
HDAC3 O15379 4/20 0.39
HDAC2 Q92769 3/20 0.39
KCNH2 Q12809 4/20 0.37
HDAC1 Q13547 4/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HDAC10 Q969S8 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL5916466 0.85 MMP7 (0.50) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6807021 0.82 MMP7 (0.74) MMP7CYP3A4MMP13CTSSHDAC3
SCHEMBL6806277 0.81 MMP7 (0.52) MMP7CYP3A4MMP13CTSSHDAC3
SCHEMBL5916486 0.79 MMP7 (0.52) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL5916540 0.79 MMP7 (0.52) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6670938 0.78 MMP7 (0.43) MMP7CYP3A4MMP13CTSS
SCHEMBL6644515 0.78 MMP7 (0.46) MMP7CYP3A4MMP13CTSSHDAC3
SCHEMBL6647240 0.76 MMP7 (0.49) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL3940021 0.76 CYP3A4 (0.52) MMP7CYP3A4MMP13CTSS
SCHEMBL6644919 0.75 MMP7 (0.53) MMP7CYP3A4MMP13CTSSHDAC2

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 2 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 claimed
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 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.