SCHEMBL1927006

SCHEMBL1927006

O=S(=O)(OCCCN1CCc2ccccc2C1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.63
HRH3 Q9Y5N1 1/20 0.59
HTR1A P08908 3/20 0.58
HTR2A P28223 3/20 0.58
HTR5A P47898 1/20 0.55
DRD2 P14416 2/20 0.54
HRH1 P35367 2/20 0.54
DRD3 P35462 2/20 0.54
HTR2B P41595 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLC6A4 P31645 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1925581 0.92 HTR7 (0.61) HTR7HRH3HTR1AHTR2ADRD2
SCHEMBL6521520 0.90 MEN1 (0.58) HTR7HRH3HTR1AHTR2AHTR5A
SCHEMBL12685359 0.85 TDP1 (0.59) HTR7HRH3HTR1AHTR2AHTR5A
SCHEMBL6527413 0.82 KDM4E (0.58) HTR7TDP1KDM4EALDH1A1
SCHEMBL18795847 0.80 HTR7 (0.57) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7246965 0.79 HTR5A (0.79) HTR7HRH3HTR1AHTR2AHTR5A
SCHEMBL6526310 0.78 HTR7 (0.65) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL5741137 0.77 HTR7 (1.00) HTR7HTR1AHTR2AKDM4E
SCHEMBL19957707 0.77 TDP1 (0.70) HTR7HRH3HTR1AHTR2AHTR5A
SCHEMBL8979759 0.76 HTR7 (1.00) HTR7HTR1AHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274056-B1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOCHINOLINIUM DERIVATIVES, SPECIFIC ALKANOLAMINES AND HYDROGEN PEROXYDE HENKEL AG & CO KGAA (DE) 2012-10-03 EP claimed
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS GROSS WIBKE 2011-06-23 US claimed
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE GROSS WIBKE 2011-03-10 US claimed
US-8025704-B2 Matting additive for blond hair dyeing HENKEL AG & CO. KGAA (DE) 2011-09-27 US disclosed
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS GROSS WIBKE 2011-06-23 US disclosed
US-20110126361-A1 Matting Additive for Blond Hair Dyeing MANNECK HARTMUT 2011-06-02 US disclosed
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE GROSS WIBKE 2011-03-10 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-20110126361-A1 Matting Additive for Blond Hair Dyeing LDHB, HMBS, HBB HTR7 475/4885HRH3 1755/4885HTR1A 453/4885
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE KRT18, H1-3, H1-2 HTR7 379/4885HRH3 17/4885HTR1A 715/4885
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, QDPR, DSG1 HTR7 1329/4885HRH3 289/4885HTR1A 3054/4885

“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.