SCHEMBL4866901

SCHEMBL4866901

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc3nc(-c4ccc(F)c(F)c4)ccc3c1)n2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALOX5AP P20292 5/20 0.32
MDM2 Q00987 1/20 0.32
KMO O15229 1/20 0.31
PDE5A O76074 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL4879012 0.93 ALOX5AP (0.35) ALOX5APPDE5AKCNH2HRH3
SCHEMBL4872012 0.92 MDM2 (0.35) ALOX5APMDM2FFAR4
SCHEMBL4873267 0.91 ALOX5AP (0.34) GRIN1GRIN2BALOX5APMDM2KMO
SCHEMBL4875175 0.88 ERCC5 (0.38) ALOX5APPDE5AKCNH2
SCHEMBL4868085 0.88 F10 (0.33) ALOX5AP
SCHEMBL4877200 0.86 KDM4E (0.33) ALOX5APKCNH2HRH3
SCHEMBL4867590 0.86 ALOX5AP (0.35) ALOX5APMDM2KMO
SCHEMBL4872478 0.86 KCNH2 (0.39) MDM2KCNH2HRH3
SCHEMBL4876388 0.86 ALOX5AP (0.38) ALOX5APMDM2
SCHEMBL4866909 0.85 ALOX5AP (0.35) GRIN1GRIN2BALOX5APMDM2KMO

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 3420/4885ALOX5AP 3943/4885

“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.