SCHEMBL4032961

SCHEMBL4032961

NC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C(Cc2ccco2)(C(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKLR P30613 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
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
SCHEMBL4041098 0.83 FABP1 (0.45) L3MBTL1HSD11B1MAPTPKLRMAPK1
SCHEMBL4037678 0.79 GAA (0.46) ALDH1A1HSD11B1MAPTKDM4ECYP1A2
SCHEMBL4038904 0.77 QPCT (0.49) ALDH1A1L3MBTL1HSD11B1MAPTPKLR
SCHEMBL4037687 0.73 GAA (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4033431 0.73 QPCT (0.45) MAPTPKLRHTTSMN1; SMN2
SCHEMBL1382194 0.69 PKM (0.61) PKMALDH1A1HPGDMAPTKMT2A
SCHEMBL4035617 0.69 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1382193 0.69 PKM (0.51) PKMALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL4036561 0.66 FAAH (0.38) MAPTMEN1KMT2A
SCHEMBL18711905 0.63 L3MBTL1 (0.64) ALDH1A1L3MBTL1HPGDMAPTMEN1

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 5 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
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 PKM 1747/4885ALDH1A1 610/4885L3MBTL1 4633/4885

“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.