SCHEMBL4866862

SCHEMBL4866862

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PTGS2 P35354 2/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4868463 0.95 KMT2A (0.39) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4874058 0.95 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4877302 0.94 PIK3CA (0.39) ALDH1A1TP53MAPTMAPK1HSD17B10
SCHEMBL4872088 0.93 KMT2A (0.36) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4877120 0.92 ALDH1A1 (0.34) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL4879229 0.91 KMT2A (0.36) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4877773 0.90 CBX7 (0.38) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4879087 0.90 PTGS2 (0.37) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4874037 0.90 POLB (0.40) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL4878294 0.89 PIK3CA (0.37) KMT2AALDH1A1PIK3CA

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 KMT2A 4254/4885ALDH1A1 1357/4885KDM4E 3075/4885

“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.