SCHEMBL4875364

SCHEMBL4875364

COc1ccc(F)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4C)ccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
PREP P48147 1/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CXCR3 P49682 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL4875350 0.90 NPC1 (0.34) TP53PREPKCNH2HRH3HCRTR1
SCHEMBL4868713 0.89 TDP1 (0.42) TP53NPC1RAB9ALMNAHPGD
SCHEMBL4878064 0.89 KDM4E (0.38) TP53KCNH2HRH3HCRTR1HCRTR2
SCHEMBL4865037 0.89 KCNH2 (0.37) KCNH2HRH3ALDH1A1
SCHEMBL4874587 0.89 MAPT (0.36) TP53KCNH2HRH3SCDHPGD
SCHEMBL4876066 0.87 KCNH2 (0.39) TP53KCNH2HRH3NPC1RAB9A
SCHEMBL4867714 0.87 KDM4E (0.38) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL4876396 0.86 KCNH2 (0.36) TP53KCNH2HRH3HCRTR1HCRTR2
SCHEMBL4878281 0.86 KCNH2 (0.37) KCNH2HRH3HPGDALDH1A1
SCHEMBL4870899 0.85 ACHE (0.40) LMNANPSR1ALDH1A1MAPTFFAR1

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 TP53 3049/4885PREP 1446/4885KCNH2 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.