SCHEMBL3221948

SCHEMBL3221948

O=[N+]([O-])c1cccnc1N1CCC(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
HSD11B1 P28845 4/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM5 P41594 2/20 0.45
MALT1 Q9UDY8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL3223172 0.88 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19HSD11B1
SCHEMBL3219142 0.87 HSD11B1 (0.58) HSD11B1MALT1
SCHEMBL3222028 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19HSD11B1
SCHEMBL3213104 0.84 HSD11B1 (0.72) ALDH1A1CYP1A2CYP2C9CYP2C19HSD11B1
SCHEMBL3209868 0.84 HSD11B1 (0.53) HSD11B1MALT1
SCHEMBL3209176 0.81 HSD11B1 (0.72) HSD11B1
SCHEMBL3210155 0.81 HSD11B1 (0.53) ALDH1A1HSD11B1MAPTTDP1MALT1
SCHEMBL3201988 0.77 MALT1 (0.46) HSD11B1MAPTMALT1SMN1; SMN2
SCHEMBL3221937 0.75 HSD11B1 (0.51) HSD11B1LMNAMAPK1MALT1
SCHEMBL3209933 0.75 HSD11B1 (0.54) HSD11B1MALT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 ALDH1A1 116/4885CYP1A2 94/4885CYP2C9 126/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 ALDH1A1 123/4885CYP1A2 102/4885CYP2C9 120/4885

“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.