SCHEMBL4878281

SCHEMBL4878281

CC1CCCN1C(=O)Cn1c(-c2ccc3nc(-c4cccc(F)c4)ccc3c2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.37
HRH3 Q9Y5N1 7/20 0.37
GRM5 P41594 1/20 0.35
PRCP P42785 2/20 0.34
SCN9A Q15858 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CPT1A P50416 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4876066 0.94 KCNH2 (0.39) KCNH2HRH3MAPK1ALDH1A1USP2
SCHEMBL4865037 0.93 KCNH2 (0.37) KCNH2HRH3SCN9AMAPK1ALDH1A1
SCHEMBL4878273 0.91 KCNH2 (0.34) KCNH2HRH3GRM5PRCPMAPK1
SCHEMBL4874587 0.90 MAPT (0.36) KCNH2HRH3SCN9AMAPK1ALDH1A1
SCHEMBL4876396 0.88 KCNH2 (0.36) KCNH2HRH3MAPK1ALDH1A1USP2
SCHEMBL4877504 0.87 KCNH2 (0.38) KCNH2HRH3MAPK1ALDH1A1USP2
SCHEMBL4875611 0.87 KCNH2 (0.45) KCNH2HRH3MAPK1ALDH1A1
SCHEMBL4878064 0.86 KDM4E (0.38) KCNH2HRH3MAPK1ALDH1A1USP2
SCHEMBL4875364 0.86 TP53 (0.34) KCNH2HRH3ALDH1A1HPGD
SCHEMBL4878862 0.86 KCNH2 (0.36) KCNH2HRH3MAPK1ALDH1A1USP2

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 4258/4885GRM5 4042/4885

“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.