SCHEMBL51311

SCHEMBL51311

CC(CCN1Cc2ccccc2C(Cc2ccccc2)(Cc2ccccc2)C1)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
MEN1 O00255 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL52067 0.81 HTR7 (0.35) L3MBTL1LMNAHTTNPSR1
SCHEMBL51966 0.78 HRH3 (0.37) MEN1L3MBTL1LMNAHTTNPSR1
SCHEMBL51655 0.75 SIGMAR1 (0.34) MEN1LMNA
SCHEMBL51310 0.70 ALDH1A1 (0.31) HTTNPSR1ALDH1A1
SCHEMBL51395 0.65 ALDH1A1 (0.43) NAMPTALDH1A1
SCHEMBL52616 0.64 ALDH1A1 (0.45) NAMPTALDH1A1
SCHEMBL6720360 0.64 ALDH1A1 (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL52356 0.64 CYP3A4 (0.32) MEN1KMT2AALDH1A1
SCHEMBL23322456 0.62 GRIK1 (0.47) MEN1KMT2ALMNAALDH1A1
SCHEMBL10613686 0.62 GRIK1 (0.47) MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426596-B2 Process of producing bleach boosters BASF AKTIENGESELLSCHAFT (DE) 2013-04-23 US disclosed
US-8129531-B2 Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization BASF AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2011-12-29 US disclosed
US-20090149366-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY MIRACLE GREGORY SCOT 2009-06-11 US disclosed
US-7504371-B2 Organic catalyst with enhanced enzyme compatibility THE PROCTER & GAMBLE COMPANY (US) 2009-03-17 US disclosed
US-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1896561-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2008-03-12 EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2006134144-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 WO disclosed
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2006-12-21 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 (3 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-20080214819-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT NAMPT 1773/4885MEN1 3318/4885L3MBTL1 4804/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO NAMPT 3825/4885MEN1 2506/4885L3MBTL1 3990/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT NAMPT 1773/4885MEN1 3318/4885L3MBTL1 4804/4885

“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.