SCHEMBL3851996

SCHEMBL3851996

Cc1c(-c2ccccc2)n(C)c2ccc(-c3ccc(OCc4nnn[nH]4)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.39
ESR1 P03372 3/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PTGES O14684 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAP4K1 Q92918 1/20 0.35
CYP11B2 P19099 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AS3MT Q9HBK9 1/20 0.34
GSK3B P49841 1/20 0.33
GRIK1 P39086 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
SCHEMBL3857091 0.87 ESR1 (0.48) GRIK2ESR1
SCHEMBL3854513 0.87 PPARG (0.43) SMN1; SMN2PPARGPTGESMAP4K1RAB9A
SCHEMBL3854572 0.86 PPARG (0.42) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL3856500 0.82 ESR1 (0.44) ESR1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL3853002 0.82 NPC1 (0.43) KDM4EALDH1A1SMN1; SMN2PPARGPTGES
SCHEMBL3853196 0.81 RAB9A (0.35) KDM4EGAAHPGDSMN1; SMN2PTGES
SCHEMBL3854484 0.80 PLK4 (0.43) GAAPPARGPTGESMEN1KMT2A
SCHEMBL3855325 0.78 GRIK2 (0.44) GRIK2ESR1KDM4EGAAALDH1A1
SCHEMBL3851703 0.77 PLA2G2A (0.39) ESR1GAAALDH1A1LMNAHPGD
SCHEMBL3853290 0.77 ESR1 (0.40) ESR1ALOX5AP

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 GRIK2 545/4885ESR1 1756/4885KDM4E 758/4885

“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.