SCHEMBL12845751

SCHEMBL12845751

CC(C)C(O)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.68
CYP3A4 P08684 1/20 0.47
CSNK1D P48730 5/20 0.41
CSNK1E P49674 5/20 0.41
TGFBR1 P36897 2/20 0.40

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
SCHEMBL2069222 1.00 KCNH2 (0.68) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2069305 1.00 KCNH2 (0.68) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2068791 0.96 KCNH2 (0.71) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL1049159 0.96 KCNH2 (0.71) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2068359 0.96 KCNH2 (0.71) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2068507 0.95 KCNH2 (0.70) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2069132 0.95 KCNH2 (0.70) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL12952052 0.95 KCNH2 (0.70) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2068227 0.93 KCNH2 (0.71) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1
SCHEMBL2069978 0.93 KCNH2 (0.71) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1

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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS KCNH2 2202/4885CYP3A4 221/4885CSNK1D 4277/4885

“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.