SCHEMBL4879010

SCHEMBL4879010

Cc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSC4)ccc3n2)s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 2/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4872621 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4876571 0.90 KCNH2 (0.37) KCNH2HRH3
SCHEMBL4876592 0.88 DPP4 (0.32) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4879016 0.87 KMT2A (0.36) KCNH2HRH3GRIN2BGRIN1KMT2A
SCHEMBL3938006 0.86 KCNH2 (0.38) KCNH2HRH3KMT2AALDH1A1GAA
SCHEMBL4868456 0.84 ALDH1A1 (0.39) GRIN2BKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4868339 0.84 PTGS2 (0.33) GRIN2BGRIN1KMT2AALDH1A1GAA
SCHEMBL4871879 0.84 GRIN2B (0.39) GRIN2BGRIN1KMT2AALDH1A1GAA
SCHEMBL4874739 0.84 KMT2A (0.36) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4876257 0.83 ALDH1A1 (0.34) KMT2AALDH1A1GAASMN1; SMN2

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 2 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

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 KCNH2 2647/4885HRH3 4258/4885GRIN2B 3420/4885

“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.