SCHEMBL4877464

SCHEMBL4877464

CN(C)C(=O)Cn1c(-c2ccc3nc(-c4c(F)cccc4F)ccc3c2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 2/20 0.34
MAPT P10636 1/20 0.33
PDE5A O76074 1/20 0.32
MDM2 Q00987 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
DHODH Q02127 1/20 0.31
IDH1 O75874 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL4876346 0.91 GRIN2B (0.35) CYP2D6HRH1KCNH2MAPTPDE5A
SCHEMBL4868332 0.89 ALDH1A1 (0.37) CYP2D6HRH1KCNH2MDM2GRIN2B
SCHEMBL4873951 0.88 GRIN2B (0.38) CYP2D6GRIN1GRIN2B
SCHEMBL4875667 0.87 SMO (0.33) CYP2D6HRH1MAPTMDM2GRIN2B
SCHEMBL4877469 0.86 GRIN2B (0.35) GRIN1GRIN2B
SCHEMBL14304736 0.86
SCHEMBL4878151 0.86 KCNH2 (0.38) CYP2D6HRH1KCNH2MAPTGRIN1
SCHEMBL4876592 0.86 DPP4 (0.32)
SCHEMBL4874244 0.85 CASP3 (0.34) CYP2D6HRH1KCNH2MAPTGRIN1
SCHEMBL4877463 0.85 GAA (0.36) MAPT

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
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CYP2D6 1327/4885HRH1 3900/4885KCNH2 2647/4885

“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.