SCHEMBL52067

SCHEMBL52067

O=S(=O)(O)CCCN1Cc2ccccc2C(Cc2ccccc2)(Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRL1 P41146 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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 0.91 SIGMAR1 (0.34) LMNAHTR1ASIGMAR1
SCHEMBL51966 0.85 HRH3 (0.37) HTR7LMNAHTTNPSR1L3MBTL1
SCHEMBL52657 0.82 ALDH1A1 (0.41) HTR7SIGMAR1
SCHEMBL51395 0.81 ALDH1A1 (0.43) HTR7SIGMAR1
SCHEMBL52616 0.81 ALDH1A1 (0.45) HTR7SIGMAR1
SCHEMBL51659 0.80 MEN1 (0.38) HTR7HTR2ASIGMAR1OPRL1
SCHEMBL52356 0.80 CYP3A4 (0.32) SIGMAR1
SCHEMBL2168243 0.76 ALDH1A1 (0.50) HTR7HTR1AHTR2ASIGMAR1DRD2
SCHEMBL652976 0.70 HTR7 (0.60) HTR7HTR1AHTR2ADRD2SLC6A4
SCHEMBL13255330 0.68 CCR3 (0.59) HTR7SIGMAR1

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 11 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
EP-1891192-B1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY PROCTER & GAMBLE (US) 2009-12-16 EP 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-1891192-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY The Procter and Gamble Company (US) 2008-02-27 EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2007001261-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 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 HTR7 2680/4885LMNA 3583/4885HTT 383/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO HTR7 3638/4885LMNA 4408/4885HTT 3296/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT HTR7 2680/4885LMNA 3583/4885HTT 383/4885

“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.