SCHEMBL4532386

SCHEMBL4532386

NS(=O)(=O)N1CCCCNC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.36
APLNR P35414 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
USP2 O75604 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
SCHEMBL6828250 0.93 CA1 (0.50) CA1CA2KDM4EPOLBTSHR
Piperidine SCHEMBL6170163 0.84 CA2 (0.71) CA1CA2KDM4EPOLBTSHR
SCHEMBL16733020 0.83
Piperidine SCHEMBL16798704 0.76 CA2 (0.59) CA1CA2KDM4EPOLBTSHR
SCHEMBL30440853 0.74 KDM4E (0.58) CA1CA2KDM4ETSHRKMT2A
SCHEMBL2723676 0.74
SCHEMBL391423 0.74
Hydrochloric Acid SCHEMBL9934025 0.73 KDM4E (0.56) CA1CA2KDM4ETSHRKMT2A
SCHEMBL2724764 0.72 CA1 (1.00) CA1CA2KDM4EPOLBTSHR
SCHEMBL21356989 0.72 CA1 (1.00) CA1CA2KDM4EPOLBTSHR

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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CA1 4871/4885CA2 4770/4885KDM4E 4639/4885

“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.