SCHEMBL3853909

SCHEMBL3853909

N#CCOc1ccc(-c2ccc3c(c2)c(Cc2ccccc2)c(-c2ccccc2)n3Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PLA2G2A P14555 6/20 0.41
ESR1 P03372 7/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADAM17 P78536 1/20 0.37
CASR P41180 1/20 0.37
PGR P06401 1/20 0.36
PLA2G1B P04054 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL3853281 0.88 PLA2G2A (0.50) PLA2G2APOLBMAPTNPSR1ADAM17
SCHEMBL3852236 0.86 PSEN1 (0.46) SIRT2PLA2G2AESR1POLBMAPT
SCHEMBL3854587 0.86 PPARG (0.48) SIRT2SIRT1PSEN1PSEN2APH1B
SCHEMBL3858272 0.86 ESR1 (0.51) ESR1
SCHEMBL3853483 0.84 PLA2G2A (0.49) PLA2G2AMAPTNPSR1PLA2G1B
SCHEMBL3852304 0.83 PLA2G2A (0.53) SIRT2SIRT1PLA2G2APLA2G1BPSEN1
SCHEMBL3851703 0.81 PLA2G2A (0.39) SIRT2SIRT1PLA2G2AESR1POLB
SCHEMBL3854601 0.80 PLA2G2A (0.49) SIRT2SIRT1PLA2G2AMAPTPLA2G1B
SCHEMBL3852585 0.80 ESR1 (0.48) ESR1MAPTNPSR1PSEN1PSEN2
SCHEMBL3853407 0.80 PLA2G2A (0.49) PLA2G2AESR1MAPTPGR

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 SIRT2 386/4885SIRT1 757/4885PLA2G2A 3821/4885

“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.