SCHEMBL18940329

SCHEMBL18940329

CNc1ccc(N)cc1CCCn1cccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NLRP3 Q96P20 3/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
THRB P10828 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL18940352 0.92 NLRP3 (0.36) TLR8TLR7NLRP3LMNAPOLB
SCHEMBL18940327 0.82
SCHEMBL18940351 0.82 TLR8 (0.40) TLR8TLR7NLRP3LMNAPOLB
Hydrochloric Acid SCHEMBL22283551 0.81 TLR8 (0.39) TLR8TLR7NLRP3LMNAPOLB
Ammonia Solution, Strong SCHEMBL4849031 0.79 TLR8 (0.46) TLR8TLR7NLRP3POLBMITF
SCHEMBL18940357 0.77 CYP19A1 (0.44) LMNAKMT2A
SCHEMBL18940335 0.76 GAA (0.31) POLBKMT2AMEN1TSHR
SCHEMBL4849026 0.74 TLR8 (0.49) TLR8TLR7NLRP3LMNAPOLB
SCHEMBL28861450 0.74 TLR8 (0.40) TLR8POLBKMT2AMEN1TDP1
SCHEMBL18940333 0.74 NLRP3 (0.34) TLR8TLR7NLRP3LMNAPOLB

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 2480/4885NLRP3 4575/4885
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 2480/4885NLRP3 4575/4885

“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.