SCHEMBL4876066

SCHEMBL4876066

CC1CCCN1C(=O)Cn1c(-c2ccc3nc(-c4ccc(F)cc4)ccc3c2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39
HRH3 Q9Y5N1 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 3/20 0.36
TP53 P04637 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4878281 0.94 KCNH2 (0.37) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4865037 0.93 KCNH2 (0.37) KCNH2HRH3ALDH1A1MAPK1USP2
SCHEMBL4874587 0.90 MAPT (0.36) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4876396 0.89 KCNH2 (0.36) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4878064 0.89 KDM4E (0.38) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4876060 0.89 ALDH1A1 (0.40) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4877504 0.88 KCNH2 (0.38) KCNH2HRH3ALDH1A1HPGDMAPK1
SCHEMBL4875611 0.88 KCNH2 (0.45) KCNH2HRH3ALDH1A1MAPK1
SCHEMBL4868314 0.88 MAOA (0.42) KCNH2HRH3ALDH1A1MAPK1NPC1
SCHEMBL4875364 0.87 TP53 (0.34) KCNH2HRH3ALDH1A1HPGDTP53

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 4258/4885ALDH1A1 1357/4885

“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.