SCHEMBL4860840

SCHEMBL4860840

Cc1cc(NCCNCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
TSHR P16473 2/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.40
KAT2B Q92831 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14266750 0.91 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL14003620 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL14003613 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4858984 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4864035 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4954691 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4862554 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4953322 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4953094 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2938667 0.80 MEN1 (0.54) ALDH1A1MEN1KMT2AMAPTRAB9A

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 5 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 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 ALDH1A1 968/4885MEN1 2557/4885KMT2A 821/4885

“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.