SCHEMBL2415245

SCHEMBL2415245

Nc1ccc(N2CCCC2NC=O)nc1N1CCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.36
CHUK O15111 1/20 0.35
PDE10A Q9Y233 4/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
PRKDC P78527 1/20 0.33
CDK2 P24941 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL2410080 0.93 SMPD3 (0.40) SMPD3CHUKPDE10APRKDCIKBKB
SCHEMBL2412931 0.89 CHUK (0.35) SMPD3CHUKPDE10AOPRM1OPRD1
SCHEMBL2412474 0.88 ALDH1A1 (0.36) SMPD3LCKJAK3ALDH1A1
SCHEMBL2411529 0.86 SMPD3 (0.33) SMPD3
SCHEMBL2410736 0.85 SMPD3 (0.30) SMPD3
SCHEMBL2416318 0.84 CHUK (0.34) SMPD3CHUKPDE10AOPRM1OPRD1
SCHEMBL2410491 0.83 SMPD3 (0.33) SMPD3PDE10ALCKJAK3
SCHEMBL2414924 0.81 SMPD3 (0.33) SMPD3
SCHEMBL2411521 0.81 MAPT (0.39) SMPD3ALDH1A1
SCHEMBL2415328 0.80 HRH4 (0.40) PDE10A

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 3953/4885CHUK 4002/4885PDE10A 3263/4885

“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.