SCHEMBL4035617

SCHEMBL4035617

NC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C(C(N)=O)(C2CCc3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 4/20 0.46
TSHR P16473 4/20 0.46
ALOX15 P16050 3/20 0.46
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4034457 0.81 GAA (0.39) ALDH1A1USP2MAPK1TSHRMAPT
SCHEMBL4037687 0.74 GAA (0.45) ALDH1A1MAPK1TSHRALOX15MAPT
SCHEMBL4037678 0.71 GAA (0.46) ALDH1A1MAPK1TSHRMAPTKDM4E
SCHEMBL4041098 0.70 FABP1 (0.45) MAPK1MAPT
SCHEMBL4032961 0.69 PKM (0.49) ALDH1A1MAPK1TSHRALOX15MAPT
SCHEMBL4038904 0.67 QPCT (0.49) ALDH1A1MAPT
SCHEMBL5244469 0.65 MAPK1 (0.65) ALDH1A1MAPK1MAPTHTTSMN1; SMN2
SCHEMBL4038936 0.63 LMNA (0.49) ALDH1A1MAPK1ALOX15HSD17B10HTT
SCHEMBL1380234 0.63 CRBN (0.39) TSHRNPSR1
SCHEMBL4037125 0.63 CRBN (0.39) TSHRNPSR1

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 3 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-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP 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 2122/4885MAPK1 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.