SCHEMBL2415136

SCHEMBL2415136

Nc1ccc(N2CCCC2C(=O)O)nc1NCCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
KMT2A Q03164 1/20 0.36
BCL6 P41182 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 2/20 0.35
ALOX5AP P20292 1/20 0.35
AADAT Q8N5Z0 4/20 0.35
OGFRL1 Q5TC84 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 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
SCHEMBL2414057 0.91 HSD11B1 (0.43) HSD11B1KMT2ABCL6SMN1; SMN2SYK
SCHEMBL2415629 0.87 HSD11B1 (0.46) HSD11B1KMT2ABCL6SMN1; SMN2SYK
SCHEMBL2412722 0.87 HSD11B1 (0.42) HSD11B1KMT2ASYKAADATALDH1A1
SCHEMBL2416453 0.83 HSD11B1 (0.43) HSD11B1KMT2ABCL6SMN1; SMN2SYK
SCHEMBL2415698 0.82 CHUK (0.40) BCL6SYK
SCHEMBL2410975 0.82 KDM4E (0.32) HSD11B1OGFRL1ALDH1A1HPGDOPRM1
SCHEMBL2415787 0.81 GAA (0.38) SYKOGFRL1MAPT
SCHEMBL2416932 0.81 MAP4K4 (0.34) HSD11B1SMN1; SMN2SYKOGFRL1ALDH1A1
SCHEMBL2414749 0.80 OPRM1 (0.32) HSD11B1KMT2AOGFRL1ALDH1A1OPRM1
SCHEMBL2414093 0.79 KMT2A (0.43) HSD11B1KMT2ABCL6SMN1; SMN2SYK

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 3872/4885KMT2A 1344/4885BCL6 4346/4885

“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.