SCHEMBL2415180

SCHEMBL2415180

CC(=O)NCCNc1nc(N2CCCC2NC=O)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
CYP1A2 P05177 10/20 0.33
CYP3A4 P08684 8/20 0.33
CYP2D6 P10635 8/20 0.33
ALDH1A1 P00352 6/20 0.33
CLK4 Q9HAZ1 5/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C19 P33261 3/20 0.32
ILK Q13418 1/20 0.32
TSHR P16473 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
HBB P68871 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
SCHEMBL2414749 0.87 OPRM1 (0.32) HRH4ALDH1A1HSD11B1KDM4ELMNA
SCHEMBL2409513 0.86 OPRM1 (0.33)
SCHEMBL2417994 0.84 SMPD3 (0.32) HSD11B1
SCHEMBL2414382 0.84 CYP1A2 (0.33) HRH4CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL2414240 0.83 ILK (0.33) HRH4CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL2413123 0.83 ADORA2A (0.44) HRH4
SCHEMBL2412722 0.83 HSD11B1 (0.42) HRH4CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL2414614 0.82 HSD11B1 (0.35) HSD11B1
SCHEMBL2413074 0.81 CYP1A2 (0.36) HRH4CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL2410525 0.81 SMPD3 (0.34)

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 HRH4 2255/4885CYP1A2 1434/4885CYP3A4 2704/4885

“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.