SCHEMBL6408514

SCHEMBL6408514

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1NC(=O)CN1CC2CCC(C1)N2c1ncnc2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DRD4 P21917 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
WNT3A P56704 1/20 0.31
BRAF P15056 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6404299 0.87 BRAF (0.37) KDM4EALDH1A1PKML3MBTL1MEN1
SCHEMBL6407647 0.85 PI4KB (0.34) KDM4EALDH1A1PKML3MBTL1CTSD
SCHEMBL6335936 0.84 MEN1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL6410153 0.77 KDM4E (0.43) KDM4EALDH1A1PKML3MBTL1CTSD
SCHEMBL6334571 0.75 P2RX7 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6405526 0.74 PKM (0.37) KDM4EALDH1A1PKML3MBTL1MEN1
SCHEMBL6405533 0.74 PKM (0.37) KDM4EALDH1A1PKML3MBTL1MEN1
SCHEMBL6407500 0.73 L3MBTL1 (0.41) KDM4EALDH1A1PKML3MBTL1CTSD
SCHEMBL6337116 0.73 PIK3CD (0.34) MEN1KMT2A
SCHEMBL6408653 0.71 PI4KB (0.40) KDM4EL3MBTL1KMT2ACYP3A4CYP2D6

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
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

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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 KDM4E 1104/4885ALDH1A1 187/4885PKM 658/4885

“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.