SCHEMBL3853196

SCHEMBL3853196

Cc1c(-c2ccccc2)n(C)c2cccc(-c3ccc(OCc4nnn[nH]4)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
PARP1 P09874 1/20 0.34
CD274 Q9NZQ7 3/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
PDE10A Q9Y233 2/20 0.32
PTGES O14684 1/20 0.32
IKBKE Q14164 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL3854730 0.87 ESR1 (0.39) MAPTGAASMN1; SMN2HPGDPTGDR2
SCHEMBL3851996 0.81 GRIK2 (0.39) RAB9ANPC1MAPTKDM4EGAA
SCHEMBL3852489 0.78 ALDH1A1 (0.37) PARP1CD274FABP4FABP5SMN1; SMN2
SCHEMBL3852458 0.76 FABP4 (0.53) RAB9ANPC1CD274FABP4FABP5
SCHEMBL3855882 0.76 L3MBTL1 (0.47) PARP1MAPTKDM4EGAA
SCHEMBL3860742 0.73 FAAH (0.51) RAB9ANPC1CD274FABP4FABP5
SCHEMBL3852280 0.73 PARP1 (0.42) RAB9ANPC1PARP1CD274MAPT
SCHEMBL3854513 0.72 PPARG (0.43) RAB9ANPC1SMN1; SMN2PTGESKMT2A
SCHEMBL3854572 0.72 PPARG (0.42) KDM4EGAASMN1; SMN2HPGDPTGES
SCHEMBL3856500 0.71 ESR1 (0.44) MAPTGAASMN1; SMN2HPGD

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 RAB9A 3129/4885NPC1 1425/4885PARP1 473/4885

“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.