SCHEMBL3856500

SCHEMBL3856500

Cc1c(-c2ccccc2)n(Cc2ccccc2)c2cc(-c3ccc(OCc4nnn[nH]4)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.44
DYRK1A Q13627 3/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39
CYP19A1 P11511 1/20 0.39
PLK1 P53350 2/20 0.39
PLK3 Q9H4B4 2/20 0.39
PLK2 Q9NYY3 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
PDE6D O43924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.38

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
SCHEMBL3857091 0.94 ESR1 (0.48) ESR1ESR2
SCHEMBL3851703 0.84 PLA2G2A (0.39) ESR1DYRK1AADAMTS5CYP19A1NPSR1
SCHEMBL3854484 0.84 PLK4 (0.43) DYRK1ANPSR1GAAMAPT
SCHEMBL3854730 0.83 ESR1 (0.39) ESR1ADAMTS5CYP19A1NPSR1GAA
SCHEMBL3853290 0.83 ESR1 (0.40) ESR1DYRK1AADAMTS5
SCHEMBL3851996 0.82 GRIK2 (0.39) ESR1GAAALDH1A1MAPTHPGD
SCHEMBL3852585 0.80 ESR1 (0.48) ESR1NPSR1PDE6DALDH1A1TP53
SCHEMBL3850876 0.80 PLA2G2A (0.51)
SCHEMBL3853542 0.79 GRIK2 (0.56) ESR1NPSR1GAAALDH1A1TP53
SCHEMBL3854882 0.78 PLA2G2A (0.49) ESR1PDE6D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US claimed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 US claimed
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT ESR1 1756/4885DYRK1A 342/4885ADAMTS5 3847/4885

“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.