SCHEMBL4878059

SCHEMBL4878059

COc1ccccc1-c1ccc2cc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N3CCCC3C)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DAGLA Q9Y4D2 1/20 0.36
DHODH Q02127 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
USP2 O75604 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
SCHEMBL14305315 0.94 KDM4E (0.35) KDM4EALDH1A1POLBMAPK1KMT2A
SCHEMBL4878064 0.91 KDM4E (0.38) KDM4EALDH1A1POLBMAPK1KMT2A
SCHEMBL4876386 0.90 MAPT (0.35) KDM4EALDH1A1POLBMAPK1KMT2A
SCHEMBL4874576 0.89 MAPT (0.37) ALDH1A1HPGDMAPTKCNH2HRH3
SCHEMBL4878294 0.89 PIK3CA (0.37) ALDH1A1KMT2ASMN1; SMN2DHODHKCNH2
SCHEMBL4876060 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1KMT2ATSHR
SCHEMBL4875350 0.88 NPC1 (0.34) ALDH1A1KMT2ATP53HPGDHSD17B10
SCHEMBL4878855 0.86 MAPT (0.34) KDM4EALDH1A1POLBMAPK1KMT2A
SCHEMBL4877495 0.86 KCNH2 (0.34) KDM4EALDH1A1POLBMAPK1TSHR
SCHEMBL4878273 0.86 KCNH2 (0.34) ALDH1A1POLBMAPK1TSHRHPGD

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 KDM4E 3075/4885ALDH1A1 1357/4885POLB 327/4885

“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.