SCHEMBL18940348

SCHEMBL18940348

Nc1ccc(N)c(CCN2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
SLC6A4 P31645 3/20 0.44
KCNH2 Q12809 3/20 0.43
KCNJ1 P48048 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 1/20 0.42
ACHE P22303 2/20 0.37
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL18940349 0.91 SIGMAR1 (0.50) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2
SCHEMBL6477753 0.91 SIGMAR1 (0.37) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2
SCHEMBL12005483 0.85 ACHE (0.51) SIGMAR1SLC6A3ACHE
SCHEMBL18940336 0.83 ACHE (0.50) SIGMAR1SLC6A3ACHE
SCHEMBL18940353 0.82 NR1H2 (0.49) SIGMAR1LMNA
SCHEMBL18940324 0.81 SLC6A4 (0.41) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2
SCHEMBL18940337 0.81 SIGMAR1 (0.40) SIGMAR1ACHEKDM1ALMNA
SCHEMBL12005459 0.81 SIGMAR1 (0.46) SIGMAR1ACHE
SCHEMBL18940354 0.78 MAOA (0.39) SIGMAR1ACHE
SCHEMBL6880391 0.76 KCNH2 (0.59) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2

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
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 SIGMAR1 1580/4885SLC6A4 1628/4885KCNH2 25/4885
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 SIGMAR1 1580/4885SLC6A4 1628/4885KCNH2 25/4885

“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.