SCHEMBL4874071

SCHEMBL4874071

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCCC4)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.44
PTGS2 P35354 2/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38

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
SCHEMBL4868467 0.98 KDM4E (0.44) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4874047 0.94 TP53 (0.44) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4879108 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4866875 0.92 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4868476 0.92 GRIN2B (0.40) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL4873757 0.91 KMT2A (0.46) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4868713 0.91 TDP1 (0.42) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4879240 0.89 TDP1 (0.39) ALDH1A1KDM4EMAPTKMT2ATP53
SCHEMBL4877305 0.89 GRIN2B (0.43) ALDH1A1MAPTKMT2ATP53HPGD
SCHEMBL4868356 0.88 MAPT (0.35) ALDH1A1KDM4EMAPTKMT2ATP53

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 1357/4885KDM4E 3075/4885MAPT 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.