SCHEMBL4032774

SCHEMBL4032774

O=C(NC(c1ccccc1)c1ccccc1)C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
FABP1 P07148 1/20 0.49
MAPK1 P28482 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1381762 0.93 GAA (0.49) GAAFABP1MAPK1MAPTALDH1A1
SCHEMBL4032584 0.83 GAA (0.62) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL4041186 0.83 CHRM5 (0.45) GAAALDH1A1SMN1; SMN2
SCHEMBL4033974 0.80 MAPT (0.47) GAAFABP1MAPK1MAPTALDH1A1
SCHEMBL4034513 0.79 F10 (0.44) SMN1; SMN2
SCHEMBL4034086 0.77 GAA (0.60) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL4034480 0.77 GAA (0.57) GAAMAPK1MAPTALDH1A1TP53
SCHEMBL1383866 0.75 GAA (0.64) GAAMAPK1MAPTALDH1A1NPSR1
SCHEMBL3384455 0.74 GAA (0.58) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL4033096 0.73 GAA (0.60) GAAMAPK1MAPTALDH1A1LMNA

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 7 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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R GAA 4649/4885FABP1 4463/4885MAPK1 3742/4885

“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.