SCHEMBL4874848

SCHEMBL4874848

COc1cccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCOC(CN(C)C)C4)ccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SCN9A Q15858 1/20 0.36
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
SLC8A1 P32418 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMO Q99835 1/20 0.34
AVPR1B P47901 1/20 0.34
WNK1 Q9H4A3 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TSHR P16473 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL4874831 0.91 ALDH1A1 (0.36) ALDH1A1SCN9APIK3CAMTORSLC8A1
SCHEMBL4877344 0.88 SCN9A (0.37) SCN9APIK3CAMTORSLC8A1
SCHEMBL4877312 0.87 PIK3CA (0.43) ALDH1A1PIK3CAMTORMAPTALOX15
SCHEMBL4877380 0.87 SCN9A (0.34) SCN9ASLC8A1
SCHEMBL4866941 0.86 SCN9A (0.35) SCN9ASLC8A1
SCHEMBL4874047 0.86 TP53 (0.44) ALDH1A1PIK3CAMTORMAPTWNK1
SCHEMBL4878179 0.85 PIK3CA (0.42) ALDH1A1PIK3CAMTORMAPTALOX15
SCHEMBL4873044 0.84 PIK3CA (0.38) ALDH1A1PIK3CAMTORMAPTALOX15
SCHEMBL4877171 0.84 PIK3CA (0.43) PIK3CAMTORSMOWNK1UBE2M
SCHEMBL4866875 0.82 ALDH1A1 (0.39) ALDH1A1PIK3CAMTORMAPT

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 ALDH1A1 1357/4885SCN9A 2977/4885PIK3CA 1299/4885

“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.