SCHEMBL18940342

SCHEMBL18940342

CNc1ccc(N)cc1CCCN1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
SLC6A4 P31645 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KDM1A O60341 1/20 0.35
RAD52 P43351 1/20 0.32
ACHE P22303 2/20 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
SCHEMBL18940322 0.92 ACHE (0.33) SIGMAR1SLC6A4HRH3KDM1ARAD52
SCHEMBL18940325 0.88 ACHE (0.43) SIGMAR1SLC6A4RAD52ACHE
SCHEMBL18940344 0.86 NOS3 (0.43) SIGMAR1HRH3RAD52
SCHEMBL18940346 0.86 ACHE (0.42) SIGMAR1SLC6A4HRH3RAD52ACHE
SCHEMBL18940355 0.84 SIGMAR1 (0.44) TLR8TLR7SIGMAR1HRH3
SCHEMBL18940318 0.84 SIGMAR1 (0.44) TLR8TLR7SIGMAR1SLC6A4KDM1A
SCHEMBL18940326 0.82 SIGMAR1 (0.33) SIGMAR1RAD52ACHE
SCHEMBL18940319 0.82 SIGMAR1 (0.41) TLR8TLR7SIGMAR1KDM1AACHE
Hydrochloric Acid SCHEMBL22283557 0.81 SIGMAR1 (0.40) TLR8TLR7SIGMAR1KDM1AACHE
SCHEMBL18940323 0.79 ACHE (0.45) SIGMAR1HRH3RAD52ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US claimed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US claimed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 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 (2 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-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 TLR8 3243/4885TLR7 2480/4885SIGMAR1 1580/4885
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 TLR8 3243/4885TLR7 2480/4885SIGMAR1 1580/4885

“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.