SCHEMBL4875208

SCHEMBL4875208

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)Nc4nccs4)ccc3n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KCNA5 P22460 2/20 0.35
HTT P42858 1/20 0.35
HPGDS O60760 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
SCHEMBL4875218 0.88 MAPT (0.40) ALDH1A1MAPTKCNA5HTTHPGDS
SCHEMBL4868457 0.88 NPC1 (0.38) ALDH1A1HTTGCKNPC1PKM
SCHEMBL4872710 0.87 ALDH1A1 (0.34) ALDH1A1HTTKMT2AGCKPKM
SCHEMBL4877221 0.85 KCNA5 (0.36) ALDH1A1KCNA5KMT2AL3MBTL1GCK
SCHEMBL4867702 0.84 FFAR1 (0.33) ALDH1A1MAPTNPSR1NPC1RAB9A
SCHEMBL4868472 0.84 KCNH2 (0.34) ALDH1A1HTTNPSR1GCKPKM
SCHEMBL4867746 0.83 ALDH1A1 (0.40) ALDH1A1MAPTNPC1
SCHEMBL4876205 0.83 GRIN1 (0.32) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4875201 0.82 PIK3CA (0.32)
SCHEMBL4868703 0.80 BRD4 (0.37) ALDH1A1MAPTKMT2AMEN1NPSR1

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 AURKA 3853/4885ALDH1A1 1357/4885MAPT 4372/4885

“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.