SCHEMBL5539012

SCHEMBL5539012

CC1(C)Cn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)S1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
MAPT P10636 1/20 0.42
CALCA P06881 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5532777 0.84 CYP2C9 (0.39) KCNH2CYP2C9
SCHEMBL5533078 0.80 GAA (0.67) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL2208711 0.80 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL2205620 0.79 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL13218329 0.78 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL1380941 0.78 KCNH2 (0.53) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL62526 0.78 KCNH2 (0.49) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL2208212 0.77 KCNH2 (0.54) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL52487 0.77 KCNH2 (0.48) KCNH2CYP2C9SMN1; SMN2GAANPSR1
SCHEMBL5392235 0.77 KCNH2 (0.56) KCNH2CYP2C9SMN1; SMN2GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US claimed
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C KCNH2 3080/4885CYP2C9 237/4885SMN1; SMN2 4469/4885

“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.