SCHEMBL18940344

SCHEMBL18940344

CNc1ccc(N)cc1CCCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
NR1H2 P55055 1/20 0.43
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.41
SIGMAR1 Q99720 7/20 0.41
MAPT P10636 2/20 0.39
MC4R P32245 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
ADRA2C P18825 1/20 0.36
NMT1 P30419 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL18940341 0.92 NR1H2 (0.45) NOS3NOS1NOS2NR1H2LMNA
SCHEMBL18940325 0.90 ACHE (0.43) MPOSIGMAR1RAD52
SCHEMBL18940346 0.89 ACHE (0.42) MPOSIGMAR1RAD52HRH3
SCHEMBL18940355 0.86 SIGMAR1 (0.44) LMNASIGMAR1MAPTHTR1DHTR1B
SCHEMBL18940342 0.86 TLR8 (0.37) SIGMAR1RAD52HRH3
SCHEMBL18940318 0.86 SIGMAR1 (0.44) SIGMAR1HTR1DHTR1BNMT1CYP1A2
SCHEMBL18940326 0.84 SIGMAR1 (0.33) NR1H2SIGMAR1RAD52
SCHEMBL18940359 0.82 NOS3 (0.47) NOS3NOS1NOS2NR1H2LMNA
Hydrochloric Acid SCHEMBL22283558 0.81 NOS3 (0.46) NOS3NOS1NOS2NR1H2LMNA
SCHEMBL18940323 0.81 ACHE (0.45) SIGMAR1HTR1DHTR1BRAD52HRH3

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 NOS3 1736/4885NOS1 1657/4885NOS2 1924/4885
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 NOS3 1736/4885NOS1 1657/4885NOS2 1924/4885

“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.