SCHEMBL62449

SCHEMBL62449

CN(C)C(=O)C(=O)NC12CCC(C)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
CALCA P06881 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9943023 0.92 CYP2C9 (0.52) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9901008 0.92 CYP2C9 (0.52) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9901141 0.90 CYP2C9 (0.51) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9942873 0.90 CYP2C9 (0.50) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL14212584 0.88 CYP2C9 (0.52) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9943089 0.88 CYP2C9 (0.54) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL14212656 0.88 CYP2C9 (0.49) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9901641 0.88 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9942967 0.87 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL9901252 0.87 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885SMN1; SMN2 4431/4885

“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.