SCHEMBL4875248

SCHEMBL4875248

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)c(CNCC(C)C)c5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
GRIN2B Q13224 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
CLK1 P49759 1/20 0.32
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
LTA4H P09960 1/20 0.32
VDR P11473 1/20 0.32
SRC P12931 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 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
SCHEMBL4866922 0.89 GRIN2B (0.36) PTGS2GRIN2BBRD4CREBBPKCNH2
SCHEMBL4875229 0.88 KCNH2 (0.36) PTGS2BRD4CREBBPKCNH2HRH3
SCHEMBL4875057 0.87 KCNH2 (0.35) PTGS2GRIN2BBRD4CREBBPKCNH2
SCHEMBL3931413 0.82 BRD4 (0.42) PTGS2GRIN2BBRD4CREBBPPOLB
SCHEMBL2994297 0.81 EGFR (0.42) PTGS2GRIN2BPOLBEGFRTYMS
SCHEMBL4868692 0.80 PTGS2 (0.35) PTGS2GRIN2BBRD4CREBBPPOLB
SCHEMBL4879197 0.79 GRIN2B (0.39) PTGS2GRIN2BBRD4CREBBPPOLB
SCHEMBL4866906 0.77 KCNH2 (0.38) PTGS2GRIN2BBRD4CREBBPKCNH2
SCHEMBL4874715 0.76 BRD4 (0.38) GRIN2BBRD4CREBBPKCNH2HRH3
SCHEMBL4876347 0.76 GRIN2B (0.39) GRIN2BBRD4CREBBPKCNH2HRH3

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 PTGS2 2888/4885GRIN2B 3420/4885BRD4 3577/4885

“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.