SCHEMBL4867702

SCHEMBL4867702

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 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
SCHEMBL4868703 0.93 BRD4 (0.37) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL4875350 0.90 NPC1 (0.34) FFAR1NPC1ALDH1A1MAPTHPGD
SCHEMBL4870887 0.87 CBX7 (0.37) ALDH1A1MAPTBRD4
SCHEMBL4877135 0.87 BRD4 (0.31) FFAR1BRD4
SCHEMBL4877105 0.87 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL4867714 0.86 KDM4E (0.38) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL4876205 0.85 GRIN1 (0.32) KDM1AKDM4EALDH1A1MAPTHPGD
SCHEMBL4875208 0.84 AURKA (0.35) NPC1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL14304710 0.83 BRD4 (0.36) KDM4EBRD4
SCHEMBL4874058 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDRAB9A

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 FFAR1 3762/4885KDM1A 3090/4885MAOA 1045/4885

“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.