SCHEMBL2414717

SCHEMBL2414717

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BCL6 P41182 1/20 0.39
SYK P43405 2/20 0.38
ALOX5AP P20292 1/20 0.37
AADAT Q8N5Z0 3/20 0.37
ADRA1A P35348 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
ELANE P08246 2/20 0.34

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
SCHEMBL2413207 0.86 HSD11B1 (0.39) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2412918 0.86 HSD11B1 (0.39) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2414093 0.83 KMT2A (0.43) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2413592 0.82 HSD11B1 (0.41) HSD11B1MAPTALDH1A1HPGDBCL6
SCHEMBL2416683 0.82 KMT2A (0.47) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2417349 0.81 MAP4K4 (0.38) HSD11B1AADATSMPD3
SCHEMBL2416550 0.80 KDM4E (0.30) ALDH1A1
SCHEMBL2416453 0.80 HSD11B1 (0.43) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2417828 0.80 HSD11B1 (0.41) HSD11B1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2418366 0.79 GAA (0.41) SYK

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.