SCHEMBL3222028

SCHEMBL3222028

O=[N+]([O-])c1cccnc1N1CCC(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.51
HSD11B1 P28845 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GRM5 P41594 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL3221948 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3223172 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3221937 0.84 HSD11B1 (0.51) LMNAHSD11B1MAPK1
SCHEMBL3216059 0.84 HSD11B1 (0.50) ALDH1A1LMNAHSD11B1MAPK1HPGD
SCHEMBL3221195 0.81 HSD11B1 (0.70) HSD11B1NPSR1
SCHEMBL3222995 0.81 KDM4E (0.52) ALDH1A1MAPTHSD11B1TDP1
SCHEMBL3219594 0.80 HRH4 (0.49) LMNAHSD11B1MAPK1
SCHEMBL3219785 0.77 MAPT (0.56) ALDH1A1CYP1A2CYP2C9MAPTLMNA
SCHEMBL781659 0.74 CYP1A2 (0.87) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8259130 0.74 CYP1A2 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT

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 5 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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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.