SCHEMBL12373136

SCHEMBL12373136

CN(C)c1ccc2c(-c3c(Cl)cc(C(=O)NCc4ccc(C(=O)NCc5c6oc7cc(O)ccc7c(-c7cc(C(=O)NCC#CCc8cn([C@H]9CC[C@@H](COP(OO)(OOO)(P(=O)=O)P(=O)=O)O9)c(=O)[nH]c8=O)ccc7C(=O)O)c-6ccc5=O)cc4)c(Cl)c3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.36
P2RY6 Q15077 1/20 0.33
HTR3A P46098 1/20 0.32
MAP3K5 Q99683 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ITPR1 Q14643 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
SCHEMBL12373131 0.91 SLC5A2 (0.35) SLC5A2P2RY6MAP3K5HRH3
SCHEMBL12373105 0.85 MAP3K5 (0.34) SLC5A2P2RY6MAP3K5HRH3ITPR1
SCHEMBL12373130 0.85 HTRA2 (0.31)
SCHEMBL13338353 0.83 MAP3K5 (0.34) SLC5A2MAP3K5HRH3
SCHEMBL12373135 0.82
SCHEMBL13024540 0.79 P2RY6 (0.43) SLC5A2P2RY6HTR3AHRH3ITPR1
SCHEMBL10293847 0.77 SLC5A2 (0.45) SLC5A2P2RY6HTR3AHRH3ITPR1
SCHEMBL10293844 0.77 SLC5A2 (0.41) SLC5A2P2RY6HTR3AMAP3K5HRH3
SCHEMBL12373115 0.77
SCHEMBL12373128 0.76 SLC5A2 (0.31) SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 SLC5A2 1420/4885P2RY6 560/4885HTR3A 1947/4885

“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.