SCHEMBL3853485

SCHEMBL3853485

Cc1c(Cc2ccccc2)c2cc(-c3ccc(OCC#N)cc3)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARG P37231 2/20 0.42
AS3MT Q9HBK9 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PLA2G4A P47712 1/20 0.38
ADAM17 P78536 1/20 0.36
PLA2G2A P14555 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL3854587 0.88 PPARG (0.48) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3853281 0.87 PLA2G2A (0.50) ADAM17PLA2G2APOLBMAPTNPSR1
SCHEMBL3854969 0.84 KDM4E (0.46) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3857096 0.83 PPARG (0.57) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3854622 0.80 PPARG (0.47) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3853002 0.79 NPC1 (0.43) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3854596 0.79 KDM4E (0.45) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL3853909 0.79 SIRT2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3855325 0.79 GRIK2 (0.44) MEN1KMT2APPARGAS3MTPSEN1
SCHEMBL3857040 0.77 PPARG (0.46) PPARGPSEN1PSEN2APH1BNCSTN

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 MEN1 2493/4885NPC1 1425/4885RAB9A 3129/4885

“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.