SCHEMBL4876346

SCHEMBL4876346

CN(C)C(=O)Cn1c(-c2ccc3nc(-c4cccc(F)c4)ccc3c2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.35
CYP2D6 P10635 2/20 0.35
HRH1 P35367 2/20 0.35
KCNH2 Q12809 2/20 0.35
PDE5A O76074 1/20 0.34
IDH1 O75874 1/20 0.34
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL4873951 0.91 GRIN2B (0.38) GRIN2BCYP2D6ALDH1A1
SCHEMBL4877464 0.91 CYP2D6 (0.34) GRIN2BCYP2D6HRH1KCNH2PDE5A
SCHEMBL13211504 0.90 GRIN2B (0.38) GRIN2BCYP2D6HRH1KCNH2IDH1
SCHEMBL4878273 0.87 KCNH2 (0.34) KCNH2MAPTALDH1A1
SCHEMBL4876355 0.87 GRIN2B (0.39) GRIN2B
SCHEMBL4874603 0.86 MKNK2 (0.34) GRIN2BCYP2D6HRH1MAPTALDH1A1
SCHEMBL4873267 0.86 ALOX5AP (0.34) GRIN2BCYP2D6HRH1MAPTALDH1A1
SCHEMBL14294869 0.85 MAPT (0.33) MAPTALDH1A1UBE2MDCUN1D1
SCHEMBL4876782 0.85 GAA (0.37) GRIN2BMAPTALDH1A1GAAGFER
SCHEMBL4878151 0.85 KCNH2 (0.38) GRIN2BCYP2D6HRH1KCNH2MAPT

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 GRIN2B 3420/4885CYP2D6 1327/4885HRH1 3900/4885

“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.