SCHEMBL6808189

SCHEMBL6808189

O=S(=O)(/C=C\CCc1ncccn1)N1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MMP7 P09237 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CXCR3 P49682 1/20 0.37
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6806995 1.00 LMNA (0.41) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL6806991 1.00 LMNA (0.41) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL6643214 0.93 MMP7 (0.42) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL6807231 0.93 MMP7 (0.42) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL6807235 0.93 MMP7 (0.42) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL6811657 0.83 SLC6A7 (0.42) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6811666 0.83 SLC6A7 (0.42) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6811661 0.83 SLC6A7 (0.42) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL5916483 0.82 LMNA (0.39) LMNAALDH1A1MMP7KDM4ENPC1
SCHEMBL5916480 0.82 LMNA (0.39) LMNAALDH1A1MMP7KDM4ENPC1

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 1 patent. 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

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 LMNA 3353/4885ALDH1A1 186/4885MMP7 18/4885

“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.