SCHEMBL51966

SCHEMBL51966

O=S(=O)(O)OCCCN1Cc2ccccc2C(Cc2ccccc2)(Cc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 3/20 0.36
OPRL1 P41146 2/20 0.35
GAA P10253 1/20 0.34
TEAD3 Q99594 1/20 0.33
HTR7 P34969 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL51655 0.77 SIGMAR1 (0.34) MEN1PRMT5WDR77LMNASMN1; SMN2
SCHEMBL51659 0.68 MEN1 (0.38) MEN1OPRL1HTR7
SCHEMBL18795847 0.68 HTR7 (0.57) MEN1HTR7L3MBTL1
SCHEMBL51965 0.67 ALDH1A1 (0.31) HTTNPSR1
SCHEMBL51395 0.67 ALDH1A1 (0.43) HTR7
SCHEMBL52616 0.67 ALDH1A1 (0.45) HTR7
SCHEMBL52356 0.66 CYP3A4 (0.32) MEN1
SCHEMBL14871623 0.64 ALDH1A1 (0.32) HTTNPSR1
SCHEMBL775918 0.64 LMNA (0.53) MEN1GAALMNAKDM4ENPC1
SCHEMBL11376146 0.64 HTR2A (0.54) MEN1HTR7LMNAHTTNPSR1

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 HRH3 986/4885MEN1 3318/4885OPRL1 4637/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO HRH3 3954/4885MEN1 2506/4885OPRL1 3287/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT HRH3 986/4885MEN1 3318/4885OPRL1 4637/4885

“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.