SCHEMBL4876126

SCHEMBL4876126

COCn1c(-c2ccc3nc(-c4sc(C)nc4C)ccc3c2)c(-c2ccccc2)c2sc(C(=O)O)c(CN(C)Cc3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GNRHR P30968 8/20 0.32
COMT P21964 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30
TACR1 P25103 1/20 0.30
PDK1 Q15118 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
SCHEMBL4876113 0.88 KCNH2 (0.36) KCNH2HRH3GNRHR
SCHEMBL3001810 0.81 ACHE (0.38) GNRHR
SCHEMBL4868432 0.81 KCNH2 (0.34) KCNH2HRH3PDK1
SCHEMBL4866922 0.79 GRIN2B (0.36) KCNH2HRH3KDM4EALDH1A1
SCHEMBL4878217 0.74 MAPT (0.39) LMNAMAPTALDH1A1
SCHEMBL4875057 0.74 KCNH2 (0.35) KCNH2HRH3ALDH1A1
SCHEMBL4875248 0.73 PTGS2 (0.35) KCNH2HRH3LMNAKDM4EALDH1A1
SCHEMBL4878159 0.73 KCNH2 (0.34) KCNH2HRH3COMT
SCHEMBL4876042 0.72 KDM4E (0.36) KCNH2HRH3COMTKDM4EHTT
SCHEMBL3931430 0.71 KDM4E (0.35) KCNH2HRH3COMTKDM4EMAPT

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 KCNH2 2647/4885HRH3 4258/4885GNRHR 4518/4885

“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.