SCHEMBL3215699

SCHEMBL3215699

O=[N+]([O-])c1ccc(N2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
NPY2R P49146 1/20 0.46
TNF P01375 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3219785 0.84 MAPT (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3218002 0.80 GPR119 (0.52) LMNACYP2C9L3MBTL1GPR119
SCHEMBL3223172 0.77 ALDH1A1 (0.54) MAPTALDH1A1LMNANPSR1CYP1A2
SCHEMBL30005172 0.74 ENPP2 (0.45) MEN1KMT2AMAPTALDH1A1CYP2C9
SCHEMBL3223542 0.73 CYP3A4 (0.45) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6949058 0.72 MAPT (0.74) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL852804 0.72 MAPT (0.74) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3214389 0.71 MALT1 (0.56)
SCHEMBL23117815 0.70 MAPT (0.71) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL25846104 0.70 MAPT (0.74) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 1354/4885KMT2A 1609/4885MAPT 3352/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MEN1 1687/4885KMT2A 1591/4885MAPT 3097/4885

“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.