SCHEMBL4862747

SCHEMBL4862747

Cc1cc(N)ccc1NCCNCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALOX15 P16050 2/20 0.44
NPC1 O15118 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
CACNA1F O60840 1/20 0.44
SLC22A3 O75751 1/20 0.44
NSD2 O96028 1/20 0.44

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 SCHEMBL4854604 0.98 MEN1 (0.46) MEN1KMT2ATP53CYP1A2USP2
SCHEMBL5467473 0.92 MAPT (0.45) MEN1KMT2ACYP1A2LMNAHTT
SCHEMBL29392615 0.90 CYP2C19 (0.45) MEN1KMT2ACYP1A2MAPK1HTT
SCHEMBL33660 0.90 CYP2C19 (0.45) MEN1KMT2ACYP1A2MAPK1HTT
Hydrochloric Acid SCHEMBL11438657 0.88 CYP2C19 (0.44) MEN1KMT2ACYP1A2MAPK1HTT
Water SCHEMBL11060635 0.88 CYP2C19 (0.44) MEN1KMT2ACYP1A2MAPK1HTT
SCHEMBL4864223 0.83 ALDH1A1 (0.44) CYP1A2MAPTALDH1A1CYP2C19CYP2C9
Sulfuric Acid SCHEMBL4626210 0.83 MAPT (0.43) MEN1KMT2ACYP1A2RECQLTDP1
SCHEMBL4858113 0.82 ALDH1A1 (0.50) CYP1A2MAPTALDH1A1KDM4ECYP2C19
Sulfuric Acid SCHEMBL11060632 0.81 MAPT (0.42) MEN1KMT2ACYP1A2RECQLTDP1

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-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR MEN1 2557/4885KMT2A 821/4885TP53 601/4885

“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.