SCHEMBL4874576

SCHEMBL4874576

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4C)ccc3n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SCD O00767 1/20 0.34
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 2/20 0.32
KDM1A O60341 1/20 0.32
PADI4 Q9UM07 1/20 0.32
RORC P51449 2/20 0.31
SMPD3 Q9NY59 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL14305259 0.94 MAPT (0.33) MAPTSCDHRH3KCNH2KDM1A
SCHEMBL4865027 0.93 MAPT (0.33) MAPTHRH3KCNH2ALDH1A1HPGD
SCHEMBL4876060 0.90 ALDH1A1 (0.40) MAPTHRH3KCNH2ALDH1A1HPGD
SCHEMBL4874587 0.90 MAPT (0.36) MAPTSCDHRH3KCNH2PADI4
SCHEMBL4878059 0.89 KDM4E (0.38) MAPTHRH3KCNH2ALDH1A1HPGD
SCHEMBL4878273 0.89 KCNH2 (0.34) MAPTHRH3KCNH2ALDH1A1HPGD
SCHEMBL4875350 0.89 NPC1 (0.34) MAPTSCDHRH3KCNH2ALDH1A1
SCHEMBL4873748 0.85 KMT2A (0.41) ALDH1A1HPGD
SCHEMBL14305260 0.84 HTT (0.36) MAPTALDH1A1HPGD
SCHEMBL4872012 0.84 MDM2 (0.35) KDM1ASMPD3FFAR4

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 MAPT 4372/4885SCD 3000/4885HRH3 4258/4885

“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.