SCHEMBL4874416

SCHEMBL4874416

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc3nc(-c4cccc(C(F)(F)F)c4)ccc3c1)n2CC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
HTT P42858 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL4873998 0.94 TRPV4 (0.40) TRPV4IRAK4KCNH2GRIN1GRIN2B
SCHEMBL4876791 0.91 GAA (0.39) IRAK4POLBGAATSHRGRIN2B
SCHEMBL4874410 0.91 TRPV4 (0.38) TRPV4IRAK4TACR2TACR3KCNH2
SCHEMBL4867012 0.90 ACHE (0.36) IRAK4POLBGAATSHR
SCHEMBL4875217 0.90 POLB (0.38) IRAK4POLBGAATSHR
SCHEMBL4872070 0.90 POLB (0.42) TRPV4IRAK4POLBGAATSHR
SCHEMBL4878078 0.90 GAA (0.39) IRAK4POLBGAATSHRGRIN2B
SCHEMBL4877296 0.90 GAA (0.40) IRAK4POLBGAATSHRGRIN2B
SCHEMBL4877171 0.88 PIK3CA (0.43) TRPV4IRAK4POLBGAATSHR
SCHEMBL4872449 0.87 KMT2A (0.40) POLBGAATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV4 4617/4885IRAK4 1626/4885TACR2 4525/4885

“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.