SCHEMBL4874587

SCHEMBL4874587

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4C)ccc3n2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KCNH2 Q12809 5/20 0.35
HRH3 Q9Y5N1 5/20 0.35
SCD O00767 1/20 0.35
SMPD3 Q9NY59 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KMT2A Q03164 2/20 0.32
PDE5A O76074 1/20 0.32
PADI4 Q9UM07 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4865037 0.93 KCNH2 (0.37) KCNH2HRH3ALDH1A1POLBMAPK1
SCHEMBL4878064 0.90 KDM4E (0.38) MAPTKCNH2HRH3KMT2AKDM4E
SCHEMBL4878281 0.90 KCNH2 (0.37) KCNH2HRH3ALDH1A1POLBHPGD
SCHEMBL4876066 0.90 KCNH2 (0.39) MAPTKCNH2HRH3TRPV1KDM4E
SCHEMBL4874576 0.90 MAPT (0.37) MAPTKCNH2HRH3SCDSMPD3
SCHEMBL4875364 0.89 TP53 (0.34) MAPTKCNH2HRH3SCDKDM4E
SCHEMBL4876396 0.85 KCNH2 (0.36) MAPTKCNH2HRH3KMT2AKDM4E
SCHEMBL4877504 0.84 KCNH2 (0.38) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL4875611 0.84 KCNH2 (0.45) KCNH2HRH3ALDH1A1MAPK1
SCHEMBL14305259 0.84 MAPT (0.33) MAPTKCNH2HRH3SCD

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 MAPT 4372/4885KCNH2 2647/4885HRH3 4258/4885

“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.