SCHEMBL6533769

SCHEMBL6533769

CCc1ccc(NS(C)(=O)=O)cc1NC(=O)CN1CC2CCC(C1)N2c1ncnc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 4/20 0.39
S1PR1 P21453 2/20 0.34
WNT3A P56704 2/20 0.32
SIRT3 Q9NTG7 3/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6408653 0.92 PI4KB (0.40) PI4KBS1PR1WNT3ADPP4KMT2A
SCHEMBL6336265 0.79 PI4KB (0.43) PI4KBMEN1KMT2AATMALDH1A1
SCHEMBL6404299 0.76 BRAF (0.37) S1PR1WNT3AMEN1KMT2AATM
SCHEMBL6531850 0.74 P2RX7 (0.44) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6332610 0.72 PKM (0.39) WNT3AMEN1KMT2AATMALDH1A1
SCHEMBL6408660 0.70 PSMD14 (0.32) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6489583 0.64 HPGD (0.45) KMT2ASMN1; SMN2
SCHEMBL6408514 0.63 KDM4E (0.36) WNT3AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6335936 0.62 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6502783 0.62 CDK2 (0.46) S1PR1MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US claimed

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 PI4KB 3088/4885S1PR1 396/4885WNT3A 4168/4885

“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.