SCHEMBL3873067

SCHEMBL3873067

O=C(CSCc1ccccc1)Nc1ccc2oc3c(c2c1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3863006 0.85 MAPT (0.55) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3864742 0.84 MAPT (0.54) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3863186 0.84 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL3862240 0.83 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL3862304 0.83 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL3863737 0.78 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL3862354 0.78 MAPT (0.62) MAPTNPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3863835 0.77 MAPT (0.61) MAPTNPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3863940 0.77 MAPT (0.61) MAPTNPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3863981 0.77 RXFP1 (0.59) MAPTRAB9ANPC1SMN1; SMN2CYP1A2

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-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US claimed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US claimed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 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-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 MAPT 2740/4885RAB9A 3161/4885NPC1 1260/4885

“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.