SCHEMBL2421089

SCHEMBL2421089

Nc1ccc(N2CC(O)CC2CO)nc1N1CCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34
OGFRL1 Q5TC84 4/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL2415211 0.88 GAA (0.43) KMT2ASMN1; SMN2GAAALDH1A1HPGD
SCHEMBL2415649 0.88 PDE10A (0.39) PDE10AGAAOGFRL1CCNE2CDK4
SCHEMBL2417287 0.87 KMT2A (0.42) KMT2APDE10ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2414751 0.87 PDE10A (0.45) PDE10ACCNE2CDK4CCND1CCNE1
SCHEMBL27517471 0.86 PDE10A (0.38) PDE10ACCNE2CDK4CCND1CCNE1
SCHEMBL2411637 0.85 CCNE2 (0.42) KMT2APDE10ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2416683 0.83 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL2413689 0.82 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2GAAALDH1A1HPGD
SCHEMBL2413886 0.81 PDE10A (0.34) PDE10A
SCHEMBL2412375 0.80 PDE10A (0.34) PDE10AALDH1A1

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 KMT2A 1344/4885PDE10A 3263/4885SMN1; SMN2 4191/4885

“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.