SCHEMBL4872252

SCHEMBL4872252

Cc1ccnc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCNCC4)ccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 6/20 0.34
GRM5 P41594 3/20 0.34
MAPT P10636 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
PARP1 P09874 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
GAA P10253 1/20 0.32
CTSD P07339 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
SCHEMBL4868740 0.93 GRIN2B (0.41) GRIN2BGRM5MAPT
SCHEMBL4872630 0.89 GRIN2B (0.33) GRIN2BGRM5MAPTBRD4CREBBP
SCHEMBL4878279 0.88 KCNH2 (0.35) SCN7AKCNH2GRIN2BGRM5MAPT
SCHEMBL4872242 0.87 ALDH1A1 (0.34) SCN7AKCNH2GRIN2BGRM5MAPT
SCHEMBL4874611 0.86 MKNK2 (0.37) SCN7AKCNH2GRIN2BMAPTMKNK2
SCHEMBL4873044 0.86 PIK3CA (0.38) MAPTPARP1
SCHEMBL4877305 0.84 GRIN2B (0.43) GRIN2BGRM5MAPTGAA
SCHEMBL4868476 0.84 GRIN2B (0.40) GRIN2BGRM5MAPTGAA
SCHEMBL4876213 0.83 GRM5 (0.35) SCN7AKCNH2GRM5MAPT
SCHEMBL4871889 0.83 GRIN2B (0.41) GRIN2BMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN7A 3656/4885KCNH2 2647/4885GRIN2B 3420/4885

“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.