SCHEMBL4879113

SCHEMBL4879113

Cc1csc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.34
LMNA P02545 1/20 0.33
SMO Q99835 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
EGFR P00533 1/20 0.31
TYMS P04818 1/20 0.31
LTA4H P09960 1/20 0.31
VDR P11473 1/20 0.31
SRC P12931 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL4871889 0.92 GRIN2B (0.41) GRIN2BMAPK1
SCHEMBL4877128 0.91 LMNA (0.36) GRIN2BLMNASMOBRD4CREBBP
SCHEMBL4879101 0.89 GRIN2B (0.35) GRIN2BLMNASMO
SCHEMBL4868321 0.87 KCNH2 (0.38) GRIN2BLMNASMOBRD4CREBBP
SCHEMBL4866875 0.86 ALDH1A1 (0.39) LMNAPIK3CAMTORMAPK1
SCHEMBL4875677 0.86 GRIN2B (0.34) GRIN2BLMNASMOPIK3CAMTOR
SCHEMBL4878029 0.86 SMO (0.34) LMNASMOBRD4CREBBPPIK3CA
SCHEMBL4877372 0.85 KCNH2 (0.37) GRIN2BLMNASMOBRD4CREBBP
SCHEMBL4877312 0.85 PIK3CA (0.43) LMNASMOPIK3CAMTORMAPK1
SCHEMBL4872104 0.85 KDM4E (0.40) LMNAEGFRMAPK1GRM5

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 GRIN2B 3420/4885LMNA 3337/4885SMO 4550/4885

“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.