SCHEMBL2413207

SCHEMBL2413207

CN(CCN)c1nc(N2CCCC2C(=O)O)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BCL6 P41182 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SYK P43405 2/20 0.35
ALOX5AP P20292 1/20 0.34
AADAT Q8N5Z0 3/20 0.34
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
SMPD3 Q9NY59 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL2412918 0.91 HSD11B1 (0.39) HSD11B1MAPTKMT2AALDH1A1HPGD
SCHEMBL2413592 0.87 HSD11B1 (0.41) HSD11B1MAPTALDH1A1HPGDBCL6
SCHEMBL2414717 0.86 HSD11B1 (0.41) HSD11B1MAPTKMT2AALDH1A1HPGD
SCHEMBL2414773 0.84 HSD11B1 (0.35) HSD11B1SMPD3
SCHEMBL2416361 0.83 HSD11B1 (0.32) HSD11B1
SCHEMBL2415444 0.82 CHUK (0.36) SYKSMPD3
SCHEMBL2414023 0.82 GAA (0.37) HSD11B1ITGB2ICAM1ITGAL
SCHEMBL2418004 0.79 HSD11B1 (0.33) HSD11B1SMPD3
SCHEMBL2414093 0.77 KMT2A (0.43) HSD11B1MAPTKMT2AALDH1A1HPGD
SCHEMBL2416683 0.76 KMT2A (0.47) HSD11B1MAPTKMT2AALDH1A1HPGD

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
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US claimed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US claimed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP claimed
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US disclosed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US disclosed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 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-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres KRT18, DPYD, DSP HSD11B1 3872/4885MAPT 1318/4885KMT2A 1344/4885

“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.