SCHEMBL4876396

SCHEMBL4876396

CC1CCCN1C(=O)Cn1c(-c2ccc3nc(-c4ccccc4C(F)(F)F)ccc3c2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
HRH3 Q9Y5N1 5/20 0.36
MAPT P10636 1/20 0.35
RORC P51449 2/20 0.35
MAPK1 P28482 3/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
CXCR3 P49682 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 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
SCHEMBL4876386 0.91 MAPT (0.35) KCNH2HRH3MAPTRORCMAPK1
SCHEMBL4878064 0.89 KDM4E (0.38) KCNH2HRH3MAPTMAPK1HCRTR1
SCHEMBL4876066 0.89 KCNH2 (0.39) KCNH2HRH3MAPTMAPK1ALDH1A1
SCHEMBL4878281 0.88 KCNH2 (0.37) KCNH2HRH3MAPK1ALDH1A1POLB
SCHEMBL4865037 0.88 KCNH2 (0.37) KCNH2HRH3MAPK1ALDH1A1POLB
SCHEMBL4878862 0.87 KCNH2 (0.36) KCNH2HRH3MAPTMAPK1ALDH1A1
SCHEMBL4875364 0.86 TP53 (0.34) KCNH2HRH3MAPTHCRTR1HCRTR2
SCHEMBL4875217 0.86 POLB (0.38) HRH3MAPTPOLBTP53TSHR
SCHEMBL4875611 0.86 KCNH2 (0.45) KCNH2HRH3MAPK1HCRTR1HCRTR2
SCHEMBL4877504 0.86 KCNH2 (0.38) KCNH2HRH3MAPK1HCRTR1HCRTR2

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 4258/4885MAPT 4372/4885

“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.