SCHEMBL3854513

SCHEMBL3854513

Cn1c(-c2ccccc2)c(Cc2ccccc2)c2cc(-c3ccc(OCc4nnn[nH]4)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
MAP4K1 Q92918 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.35
GSK3B P49841 1/20 0.35
CYP19A1 P11511 1/20 0.34
TACR1 P25103 4/20 0.34
AS3MT Q9HBK9 1/20 0.34
MAOB P27338 1/20 0.34
GP6 Q9HCN6 1/20 0.34
ALK Q9UM73 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PIK3CD O00329 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
SCHEMBL3853002 0.90 NPC1 (0.43) PPARGMAP4K1MEN1NPC1RAB9A
SCHEMBL3851703 0.89 PLA2G2A (0.39) POLBPKMSMN1; SMN2CYP19A1SIRT2
SCHEMBL3851996 0.87 GRIK2 (0.39) PPARGMAP4K1MEN1NPC1RAB9A
SCHEMBL3854572 0.86 PPARG (0.42) PPARGSMN1; SMN2PTGESGSK3BTACR1
SCHEMBL3850876 0.83 PLA2G2A (0.51)
SCHEMBL3857091 0.80 ESR1 (0.48)
SCHEMBL3854587 0.79 PPARG (0.48) PPARGMEN1NPC1RAB9AKMT2A
SCHEMBL3853290 0.79 ESR1 (0.40) SIRT2
SCHEMBL3854788 0.79 PPARG (0.51) PPARGMEN1KMT2ASMN1; SMN2PIK3CD
SCHEMBL3854723 0.77 PPARG (0.70) PPARGMEN1NPC1RAB9AKMT2A

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 PPARG 1741/4885MAP4K1 2330/4885MEN1 2493/4885

“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.