SCHEMBL5157922

SCHEMBL5157922

Nc1ccc(NCCCCC(CO)Nc2ccc(N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.40
F2 P00734 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
APP P05067 1/20 0.36
FYN P06241 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 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
Hydrochloric Acid SCHEMBL5428576 0.98 PRSS1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3857749 0.85 PRSS1 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL855273 0.84 KCNH2 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6838626 0.80 MAPT (0.36) FYNALDH1A1TLR8TLR7MAPT
SCHEMBL3860929 0.79 MAPT (0.41) APPFYNALDH1A1MAPT
SCHEMBL5155046 0.79 ALDH1A1 (0.52) ALDH1A1MAPT
SCHEMBL4954457 0.78 ALDH1A1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL3857260 0.77 MAPT (0.40) PRSS1F2PRSS3APPFYN
SCHEMBL34107 0.77 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL25560558 0.77 TLR8 (0.45) FYNALDH1A1TLR8TLR7MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups and use in dyeing L'OREAL (FR) 2007-01-03 EP 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 (1 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-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers KRT18, PLOD3, DSP PRSS1 1824/4885F2 3839/4885PRSS2 1933/4885

“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.