SCHEMBL6646199

SCHEMBL6646199

O=S(=O)(C=CCCCc1ncccn1)N1CCN(c2ccc(-c3ccccn3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
MMP7 P09237 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MMP13 P45452 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
SMO Q99835 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TNF P01375 1/20 0.35
KDM6A O15550 1/20 0.35
KDM5A P29375 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
SCHEMBL6807457 1.00 CNR2 (0.51) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6808518 0.89 SLC6A7 (0.38) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6802013 0.89 SLC6A7 (0.38) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6807880 0.85 MMP7 (0.40) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6807876 0.85 MMP7 (0.40) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6649019 0.85 MMP7 (0.40) CNR2MMP7KDM4EMAPTALDH1A1
SCHEMBL6806731 0.85 MMP7 (0.57) MMP7KDM4EMAPTALDH1A1CYP3A4
SCHEMBL5916424 0.85 MMP7 (0.44) MMP7KDM4EMAPTALDH1A1CYP3A4
SCHEMBL6650377 0.85 MMP7 (0.57) MMP7KDM4EMAPTALDH1A1CYP3A4
SCHEMBL6645607 0.85 MMP7 (0.57) MMP7KDM4EMAPTALDH1A1CYP3A4

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 CNR2 678/4885MMP7 18/4885KDM4E 2041/4885

“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.