SCHEMBL2417828

SCHEMBL2417828

COc1nc(N2CCCC2C(=O)O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.38
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 1/20 0.38
SYK P43405 2/20 0.38
ALOX5AP P20292 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
BCL6 P41182 1/20 0.36
ADRA1A P35348 1/20 0.36
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2416207 0.91 HSD11B1 (0.36) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2415051 0.87 ALDH1A1 (0.45) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2413098 0.83 HSD11B1 (0.39) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2414093 0.83 KMT2A (0.43) HSD11B1KMT2ASMN1; SMN2MAPTSYK
SCHEMBL2416683 0.82 KMT2A (0.47) HSD11B1KMT2ASMN1; SMN2MAPTSYK
SCHEMBL4673220 0.80 KMT2A (0.41) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL2416453 0.80 HSD11B1 (0.43) HSD11B1KMT2ASMN1; SMN2MAPTSYK
SCHEMBL2414717 0.80 HSD11B1 (0.41) HSD11B1KMT2ASMN1; SMN2MAPTSYK
SCHEMBL2415027 0.80 PRKAB2 (0.33)
SCHEMBL2416351 0.80 MAP4K4 (0.36) ADRA1A

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 HSD11B1 3872/4885ITGB2 1018/4885ICAM1 3800/4885

“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.