SCHEMBL4876060

SCHEMBL4876060

CC1CCCN1C(=O)Cn1c(-c2ccc3nc(-c4ccc(F)cc4)ccc3c2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 6/20 0.34
HRH3 Q9Y5N1 6/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL4878273 0.93 KCNH2 (0.34) ALDH1A1HPGDKCNH2HRH3MAPT
SCHEMBL4865027 0.93 MAPT (0.33) ALDH1A1HPGDKCNH2HRH3MAPT
SCHEMBL4874576 0.90 MAPT (0.37) ALDH1A1HPGDKCNH2HRH3MAPT
SCHEMBL4876066 0.89 KCNH2 (0.39) ALDH1A1HPGDSMN1; SMN2LMNANPC1
SCHEMBL4877495 0.89 KCNH2 (0.34) ALDH1A1HPGDLMNAKCNH2HRH3
SCHEMBL4875594 0.89 KCNH2 (0.44) KCNH2HRH3MAPTTLR9TLR8
SCHEMBL4868302 0.88 MAOA (0.37) NPC1RAB9AKCNH2HRH3MAPT
SCHEMBL4878059 0.88 KDM4E (0.38) ALDH1A1HPGDSMN1; SMN2RAB9AKCNH2
SCHEMBL4876386 0.88 MAPT (0.35) ALDH1A1HPGDSMN1; SMN2RAB9AKCNH2
SCHEMBL4875350 0.88 NPC1 (0.34) ALDH1A1HPGDNPC1RAB9AKCNH2

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 ALDH1A1 1357/4885HPGD 2973/4885SMN1; SMN2 1929/4885

“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.