SCHEMBL1780348

SCHEMBL1780348

Cc1ccc(S(=O)(=O)n2ccc3c([N+](=O)[O-])ccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HSD11B1 P28845 1/20 0.45
PAX8 Q06710 1/20 0.44
MET P08581 1/20 0.44
HTR6 P50406 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
ALDH3A1 P30838 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL19251759 0.88 CYP2C19 (0.53) L3MBTL1ALDH1A1LMNAMETHTR6
SCHEMBL29941109 0.88 CYP2C19 (0.53) L3MBTL1ALDH1A1LMNAMETHTR6
SCHEMBL30213799 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAMAPTHSD11B1
SCHEMBL28554876 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAMAPTHSD11B1
SCHEMBL2237896 0.82 L3MBTL1 (0.62) L3MBTL1MAPTHTR6PKMCYP2C19
SCHEMBL1749202 0.82 L3MBTL1 (0.62) L3MBTL1MAPTHSD11B1HTR6PKM
SCHEMBL23120015 0.81 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNAMAPTHSD11B1
SCHEMBL30081939 0.81 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNAMAPTHSD11B1
SCHEMBL28643587 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1LMNAMAPTHSD11B1
SCHEMBL1749228 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1HSD11B1HTR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (4 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 L3MBTL1 2911/4885ALDH1A1 4397/4885LMNA 3208/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885ALDH1A1 939/4885LMNA 3913/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885ALDH1A1 4673/4885LMNA 3713/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885ALDH1A1 3053/4885LMNA 3686/4885

“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.