SCHEMBL2415012

SCHEMBL2415012

Nc1ccc(N2CCCC2NC=O)nc1N1CCCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.36
OGFRL1 Q5TC84 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
ADRA1A P35348 1/20 0.33
BCL6 P41182 1/20 0.33
SYK P43405 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ALOX5AP P20292 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 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
SCHEMBL2413122 0.96 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AHSD17B10HSD11B1OGFRL1
SCHEMBL2413689 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AHSD17B10HSD11B1OGFRL1
SCHEMBL2411529 0.89 SMPD3 (0.33)
SCHEMBL2416683 0.86 KMT2A (0.47) SMN1; SMN2KMT2AHSD17B10HSD11B1OGFRL1
SCHEMBL2410500 0.86 GAA (0.38) SMN1; SMN2KMT2AOGFRL1
SCHEMBL2420524 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AHSD17B10HSD11B1OGFRL1
SCHEMBL2415236 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AHSD17B10HSD11B1OGFRL1
SCHEMBL2410718 0.84
SCHEMBL2412474 0.83 ALDH1A1 (0.36) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL2414864 0.83 CHUK (0.39)

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 SMN1; SMN2 4191/4885KMT2A 1344/4885HSD17B10 1534/4885

“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.