SCHEMBL3852236

SCHEMBL3852236

CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(OCC#N)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PLA2G2A P14555 4/20 0.41
ADAM17 P78536 3/20 0.41
ESR1 P03372 6/20 0.41
PLA2G4A P47712 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CASR P41180 1/20 0.38
PPARG P37231 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
SCHEMBL3857040 0.87 PPARG (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3853909 0.86 SIRT2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3853510 0.86 PLA2G2A (0.48) PLA2G2AMAPTNPSR1
SCHEMBL3858272 0.85 ESR1 (0.51) ESR1
SCHEMBL3852177 0.85 PPARG (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4197170 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3854992 0.83 PLA2G2A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3853290 0.83 ESR1 (0.40) PLA2G2AESR1PLA2G4ASIRT2
SCHEMBL3856331 0.82 PLA2G2A (0.49) PLA2G2AESR1MAPTSIRT2PPARG
SCHEMBL3853281 0.81 PLA2G2A (0.50) PLA2G2AADAM17POLBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PSEN1 2526/4885PSEN2 1065/4885APH1B 4237/4885

“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.