SCHEMBL2412474

SCHEMBL2412474

Nc1ccc(N2CCCC2NC=O)nc1N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.34
SMPD3 Q9NY59 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NUDT1 P36639 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGFR P00533 1/20 0.30
LCK P06239 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2411529 0.91 SMPD3 (0.33) SMPD3
SCHEMBL2411521 0.90 MAPT (0.39) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL2415245 0.88 SMPD3 (0.36) ALDH1A1SMPD3LCKJAK3
SCHEMBL2417186 0.85 SMPD3 (0.34) SMPD3
SCHEMBL2414864 0.83 CHUK (0.39)
SCHEMBL2415012 0.83 SMN1; SMN2 (0.42) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL2415310 0.82 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL2410080 0.82 SMPD3 (0.40) SMPD3
SCHEMBL2410491 0.81 SMPD3 (0.33) SMPD3EGFRLCKJAK3BTK
SCHEMBL2413122 0.81 SMN1; SMN2 (0.39) ALDH1A1MAPTPOLBTDP1MEN1

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 ALDH1A1 197/4885MAPT 1318/4885MAPK1 976/4885

“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.