SCHEMBL4874047

SCHEMBL4874047

COc1cccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCCC4)ccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
WNK1 Q9H4A3 1/20 0.39
ACP1 P24666 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37

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
SCHEMBL4874071 0.94 ALDH1A1 (0.46) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4879108 0.94 ALDH1A1 (0.41) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4873044 0.93 PIK3CA (0.38) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4877312 0.93 PIK3CA (0.43) TP53TDP1ALDH1A1MAPTKDM4E
SCHEMBL4877171 0.93 PIK3CA (0.43) TP53POLBTDP1PIK3CAMTOR
SCHEMBL4868467 0.92 KDM4E (0.44) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4873757 0.91 KMT2A (0.46) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4877305 0.90 GRIN2B (0.43) TP53ALDH1A1MAPTHPGDMAPK1
SCHEMBL4868713 0.90 TDP1 (0.42) TP53POLBTDP1ALDH1A1MAPT
SCHEMBL4874037 0.90 POLB (0.40) TP53POLBTDP1ALDH1A1MAPT

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 3049/4885POLB 327/4885TDP1 1009/4885

“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.