SCHEMBL4038466

SCHEMBL4038466

CCCCC[N+]1(C(N)=O)CCN(S(=O)(=O)c2ccccc2)C(C(N)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.42
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.38
FKBP1A P62942 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4032958 0.79 ALDH1A1 (0.43) ALDH1A1GAAMMP1MMP3MMP7
SCHEMBL4041586 0.76 FKBP1A (0.41) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4036533 0.72 MMP3 (0.43) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4033188 0.71 ALDH1A1 (0.46) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4038075 0.69 ALDH1A1 (0.47) ALDH1A1GAALMNAUSP2HTT
SCHEMBL17833176 0.69 MMP2 (0.59) ALDH1A1GAAMMP9LMNAHTT
SCHEMBL695071 0.69 MMP2 (0.59) ALDH1A1GAAMMP9LMNAHTT
SCHEMBL2886117 0.68 MMP1 (0.62) ALDH1A1GAAMMP1MMP3MMP7
SCHEMBL8718942 0.68 LMNA (0.58) ALDH1A1MMP9LMNAUSP2HTT
SCHEMBL5635689 0.67 MMP9 (0.52) ALDH1A1GAAMMP1MMP3MMP7

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed

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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R ALDH1A1 610/4885GAA 4649/4885MMP1 3474/4885

“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.