SCHEMBL4866852

SCHEMBL4866852

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N(C)C4CCN(C)CC4)ccc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
POLB P06746 3/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
MCHR1 Q99705 1/20 0.32
CACNA2D1 P54289 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL4866846 0.89 KCNH2 (0.37) KCNH2HRH3LMNAL3MBTL1CYP3A4
SCHEMBL4872064 0.88 KCNH2 (0.37) KCNH2HRH3LMNAL3MBTL1CYP3A4
SCHEMBL4877372 0.84 KCNH2 (0.37) KCNH2HRH3LMNAMAPT
SCHEMBL4877178 0.84 GRIN2B (0.38) KCNH2HRH3MEN1ALDH1A1MAPT
SCHEMBL4872000 0.84 GRIN2B (0.38) KCNH2HRH3MEN1ALDH1A1MAPT
SCHEMBL4866941 0.81 SCN9A (0.35) KCNH2HRH3
SCHEMBL2989200 0.79 POLB (0.42) LMNAL3MBTL1CYP3A4POLBKMT2A
SCHEMBL4875355 0.78 KCNH2 (0.38) KCNH2HRH3LMNAL3MBTL1CYP3A4
SCHEMBL4872042 0.77 KCNH2 (0.38) KCNH2HRH3LMNAL3MBTL1CYP3A4
SCHEMBL4868814 0.77 EDNRB (0.39) LMNACYP3A4MEN1ALDH1A1MAPT

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 4258/4885LMNA 3337/4885

“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.