SCHEMBL6405533

SCHEMBL6405533

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1NC(=O)CN1C[C@@H](C)N(c2ncnc3sccc23)[C@@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KDR P35968 1/20 0.33
HRH1 P35367 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NR2F2 P24468 1/20 0.32
STAT3 P40763 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6405526 1.00 PKM (0.37) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6332610 0.87 PKM (0.39) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6332611 0.87 PKM (0.39) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6332759 0.83 MEN1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6332762 0.83 MEN1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6336277 0.82 KCNA5 (0.41) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6336280 0.82 KCNA5 (0.41) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6407647 0.81 PI4KB (0.34) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6336255 0.81 KCNA5 (0.40) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6336259 0.81 KCNA5 (0.40) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 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 (2 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 PKM 658/4885KDM4E 1104/4885ALDH1A1 187/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 PKM 658/4885KDM4E 1566/4885ALDH1A1 68/4885

“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.