SCHEMBL4035588

SCHEMBL4035588

O=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
USP2 O75604 2/20 0.59
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 4/20 0.42
TSHR P16473 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4036042 0.89 PKM (0.53) ALDH1A1USP2KDM4EHSD17B10ALOX15
SCHEMBL4032756 0.88 ALDH1A1 (0.51) ALDH1A1PKMTSHRSMN1; SMN2MEN1
SCHEMBL4035235 0.88 ALDH1A1 (0.76) ALDH1A1USP2KDM4EPKMSMN1; SMN2
SCHEMBL1383096 0.86 ALDH1A1 (0.57) ALDH1A1USP2KDM4EHSD17B10ALOX15
SCHEMBL4035013 0.84 MEN1 (0.46) ALDH1A1PKMTSHRSMN1; SMN2MEN1
SCHEMBL1382447 0.83 ALDH1A1 (0.46) ALDH1A1USP2NPSR1PKMSMN1; SMN2
SCHEMBL4038120 0.82 GAA (0.49) ALDH1A1MEN1KMT2AGAA
SCHEMBL4038593 0.81 ALDH1A1 (0.51) ALDH1A1PKMSMN1; SMN2HTT
SCHEMBL4033588 0.81 USP2 (0.54) ALDH1A1USP2KDM4EPKMGLA
SCHEMBL1383797 0.80 PKM (0.60) ALDH1A1USP2HSD17B10ALOX15MAPK1

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 ALDH1A1 610/4885USP2 2122/4885KDM4E 593/4885

“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.