SCHEMBL6650377

SCHEMBL6650377

O=S(=O)(/C=C\CCCc1ncccn1)N1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.57
CYP3A4 P08684 1/20 0.42
MMP13 P45452 1/20 0.42
CHRM1 P11229 5/20 0.40
USP2 O75604 1/20 0.40
CXCR3 P49682 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6645607 1.00 MMP7 (0.57) MMP7CYP3A4MMP13CHRM1USP2
SCHEMBL6806731 1.00 MMP7 (0.57) MMP7CYP3A4MMP13CHRM1USP2
SCHEMBL5916421 0.88 MMP7 (0.44) MMP7CYP3A4MMP13CHRM1USP2
SCHEMBL5916424 0.88 MMP7 (0.44) MMP7CYP3A4MMP13CHRM1USP2
SCHEMBL5916423 0.88 MMP7 (0.44) MMP7CYP3A4MMP13CHRM1USP2
SCHEMBL5883127 0.86 MMP7 (0.42) MMP7KDM4EALDH1A1MAPTMEN1
SCHEMBL6807231 0.86 MMP7 (0.42) MMP7CYP3A4MMP13USP2CXCR3
SCHEMBL5883129 0.86 MMP7 (0.42) MMP7KDM4EALDH1A1MAPTMEN1
SCHEMBL6643214 0.86 MMP7 (0.42) MMP7CYP3A4MMP13USP2CXCR3
SCHEMBL6807235 0.86 MMP7 (0.42) MMP7CYP3A4MMP13USP2CXCR3

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.