SCHEMBL18940323

SCHEMBL18940323

CNc1ccc(N)cc1CCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
RAD52 P43351 2/20 0.44
SIGMAR1 Q99720 3/20 0.41
HRH3 Q9Y5N1 6/20 0.41
GFER P55789 1/20 0.39
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18940343 0.98 ACHE (0.44) ACHERAD52SIGMAR1HRH3GFER
SCHEMBL18940325 0.91 ACHE (0.43) ACHERAD52SIGMAR1GFERSLC6A3
SCHEMBL18940346 0.90 ACHE (0.42) ACHERAD52SIGMAR1HRH3SLC6A3
SCHEMBL18940341 0.90 NR1H2 (0.45) RAD52SIGMAR1GFERHTR2AHTR1D
SCHEMBL18940324 0.87 SLC6A4 (0.41) ACHERAD52SIGMAR1SLC6A3MAPK1
SCHEMBL18940345 0.87 SIGMAR1 (0.41) SIGMAR1MAPK1KMT2A
SCHEMBL18940322 0.87 ACHE (0.33) ACHERAD52SIGMAR1HRH3MAPK1
SCHEMBL18940358 0.85 MAOA (0.35) ACHERAD52HTR1DHTR1BMAPK1
SCHEMBL6032332 0.84 ACHE (0.42) ACHERAD52SIGMAR1HRH3GFER
SCHEMBL18940344 0.81 NOS3 (0.43) RAD52SIGMAR1HRH3HTR1DHTR1B

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 ACHE 2393/4885RAD52 734/4885SIGMAR1 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 ACHE 2393/4885RAD52 734/4885SIGMAR1 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.