SCHEMBL6416202

SCHEMBL6416202

Cc1cccc(CNc2nc(N(CCO)c3ccccc3)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.38
NOD1 Q9Y239 1/20 0.38
FGFR1 P11362 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KCNH2 Q12809 2/20 0.35
KCNA5 P22460 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 1/20 0.34
HPGD P15428 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 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
SCHEMBL2368403 0.89 ESR1 (0.38) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL2368642 0.84 ESR1 (0.47) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL2368714 0.81 ESR1 (0.40) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL2368659 0.80 ESR1 (0.39) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL3384963 0.79 ESR1 (0.57) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL2368960 0.78 ESR1 (0.39) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL3386430 0.77 TNF (0.53) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL2903277 0.76 ALDH1A1 (0.35) ESR1TNFMAPK1NOD1FGFR1
Butane SCHEMBL6359950 0.76 ESR1 (0.38) ESR1TNFMAPK1NOD1FGFR1
SCHEMBL6360222 0.76 TNF (0.41) ESR1TNFMAPK1NOD1FGFR1

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-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 ESR1 4494/4885TNF 2689/4885MAPK1 667/4885

“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.