SCHEMBL4876205

SCHEMBL4876205

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCNCC4)ccc3n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
BRD4 O60885 2/20 0.32
ATR Q13535 1/20 0.32
MC4R P32245 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL4868703 0.90 BRD4 (0.37) GRIN1GRIN2BBRD4TDP1KMT2A
SCHEMBL4873028 0.89 PIK3CA (0.37) TDP1ALDH1A1MAPTTP53MAPK1
SCHEMBL4876213 0.88 GRM5 (0.35) ATRKCNH2TDP1KMT2AALDH1A1
SCHEMBL4874058 0.86 ALDH1A1 (0.41) GRIN1GRIN2BTDP1KMT2AALDH1A1
SCHEMBL4868463 0.86 KMT2A (0.39) GRIN1GRIN2BTDP1KMT2AALDH1A1
SCHEMBL4867702 0.85 FFAR1 (0.33) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL4874603 0.85 MKNK2 (0.34) GRIN2BKMT2AALDH1A1MAPT
SCHEMBL4870887 0.85 CBX7 (0.37) GRIN1GRIN2BBRD4ALDH1A1MAPT
SCHEMBL4866862 0.84 KMT2A (0.36) GRIN1GRIN2BTDP1KMT2AALDH1A1
SCHEMBL4877145 0.84 GRIN2B (0.37) GRIN2BKMT2AALDH1A1MAPTMEN1

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 GRIN1 2653/4885GRIN2B 3420/4885BRD4 3577/4885

“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.