SCHEMBL2413440

SCHEMBL2413440

Nc1ccc(N2CCC(O)C2C(=O)O)nc1N1CCCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.38
OGFRL1 Q5TC84 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
ALOX5AP P20292 1/20 0.34
ADRA1A P35348 1/20 0.33
BCL6 P41182 1/20 0.33
ELANE P08246 2/20 0.33

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
SCHEMBL2416683 0.89 KMT2A (0.47) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1
SCHEMBL2415998 0.85 CCNE2 (0.40) BCL6
SCHEMBL2410100 0.85 KMT2A (0.42) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1
SCHEMBL2420462 0.84 IP6K1 (0.35) HSD17B10ALDH1A1HSD11B1MAPT
SCHEMBL2415236 0.84 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1
SCHEMBL2416207 0.84 HSD11B1 (0.36) KMT2ASMN1; SMN2ALDH1A1HPGDHSD11B1
SCHEMBL2413156 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1
SCHEMBL2410718 0.83
SCHEMBL2415211 0.83 GAA (0.43) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1
SCHEMBL2417287 0.81 KMT2A (0.42) KMT2ASMN1; SMN2HSD17B10OGFRL1ALDH1A1

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