SCHEMBL2411298

SCHEMBL2411298

Nc1ccc(N2CCOCC2)nc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.51
POLB P06746 3/20 0.49
GAA P10253 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LGMN Q99538 1/20 0.45
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL939415 0.84 SMPD3 (0.53) SMPD3POLBGAAMAPTKDM4E
SCHEMBL31570599 0.84 SMPD3 (0.53) SMPD3POLBGAAMAPTKDM4E
SCHEMBL2414465 0.83 MAPT (0.53) SMPD3POLBMAPTKDM4ECYP1A2
Hydrochloric Acid SCHEMBL6429475 0.81 MAPT (0.51) SMPD3POLBMAPTKDM4ECYP1A2
SCHEMBL7931744 0.81 MAPT (0.49) SMPD3POLBGAAMAPTKDM4E
SCHEMBL1912050 0.81 CRHBP (0.53) SMPD3POLBGAAMAPTKDM4E
SCHEMBL5346983 0.81 MAPT (0.53) SMPD3POLBGAAMAPTMEN1
SCHEMBL16908180 0.81 SMPD3 (0.50) SMPD3POLBGAAMAPTKDM4E
SCHEMBL2270412 0.77 GAA (0.47) POLBGAAMAPTKDM4EMEN1
SCHEMBL2416637 0.77 SMPD3 (0.47) SMPD3POLBGAAMAPTKDM4E

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 SMPD3 3953/4885POLB 115/4885GAA 3941/4885

“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.