SCHEMBL18940324

SCHEMBL18940324

CNc1ccc(N)cc1CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
SLC6A3 Q01959 1/20 0.38
KCNJ1 P48048 1/20 0.36
ACHE P22303 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR4 Q13639 1/20 0.32
NR1H2 P55055 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL18940318 0.92 SIGMAR1 (0.44) SLC6A4KCNH2SLC6A2SIGMAR1SLC6A3
SCHEMBL18940323 0.87 ACHE (0.45) SIGMAR1SLC6A3ACHERAD52MAPK1
SCHEMBL18940343 0.86 ACHE (0.44) SIGMAR1SLC6A3ACHECYP3A4RAD52
SCHEMBL18940341 0.86 NR1H2 (0.45) SIGMAR1POLBLMNAMAPTCYP2D6
SCHEMBL18940345 0.83 SIGMAR1 (0.41) SIGMAR1POLBLMNAMAPTSMN1; SMN2
SCHEMBL18940322 0.83 ACHE (0.33) SLC6A4SIGMAR1ACHEPOLBRAD52
SCHEMBL18940358 0.81 MAOA (0.35) ACHEMAPTRAD52NR1H2MAPK1
SCHEMBL18940348 0.81 SIGMAR1 (0.45) SLC6A4KCNH2SLC6A2SIGMAR1SLC6A3
SCHEMBL18940325 0.79 ACHE (0.43) SLC6A4SIGMAR1SLC6A3ACHERAD52
SCHEMBL18940346 0.78 ACHE (0.42) SLC6A4SIGMAR1SLC6A3ACHERAD52

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 SLC6A4 1628/4885KCNH2 25/4885SLC6A2 1969/4885
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 SLC6A4 1628/4885KCNH2 25/4885SLC6A2 1969/4885

“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.