SCHEMBL52487

SCHEMBL52487

CC12CC[C](CC1)c1nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n1C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
MAPT P10636 1/20 0.42
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CALCA P06881 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL62526 0.83 KCNH2 (0.49) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL63253 0.82 KCNH2 (0.47) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL51888 0.80 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL9901805 0.80 MMP13 (0.44) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1380941 0.78 KCNH2 (0.53) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2208711 0.77 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL5539012 0.77 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL52175 0.77 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL52217 0.77 KCNH2 (0.52) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL5392235 0.77 KCNH2 (0.56) KCNH2CYP2C9SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP 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

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 KCNH2 3969/4885CYP2C9 602/4885SMN1; 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.