SCHEMBL6401405

SCHEMBL6401405

CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC21CCCC1.O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOC21CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.41
KCNE1 P15382 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ1 P51787 1/20 0.36
CALCA P06881 2/20 0.35
RORC P51449 5/20 0.33
NAMPT P43490 1/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 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
SCHEMBL3840946 0.92 KCNH2 (0.40) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL3836803 0.92 KCNH2 (0.41) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL3838390 0.89 KCNH2 (0.43) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL12778161 0.87 PTGDR2 (0.38) KCNH2CYP2C9CALCANAMPTKMT2A
SCHEMBL3836233 0.87 KCNH2 (0.38) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2080672 0.87 KCNH2 (0.46) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL4830816 0.86 KCNH2 (0.42) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL14064655 0.86 KCNH2 (0.40) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL4830889 0.85 KCNH2 (0.40) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2079046 0.85 KCNH2 (0.49) KCNH2CYP2C9KCNE1CCR1KCNQ1

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-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 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-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KCNH2 3435/4885CYP2C9 1079/4885KCNE1 4436/4885

“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.