SCHEMBL6576397

SCHEMBL6576397

NC(N)=NN=Cc1cc(NCC(O)O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TLR4 O00206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
GRIN2D O15399 8/20 0.39
GRIN3B O60391 8/20 0.39
GRIN1 Q05586 8/20 0.39
GRIN2A Q12879 8/20 0.39
GRIN2B Q13224 8/20 0.39
GRIN2C Q14957 8/20 0.39
GRIN3A Q8TCU5 8/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL6573966 0.86 TLR4 (0.40) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL6572568 0.76 HTR1A (0.45) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL6573971 0.73 TLR4 (0.40) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL6573488 0.71 MAPT (0.59) MAPTGAAALDH1A1TLR4SMN1; SMN2
Hydrochloric Acid SCHEMBL7266109 0.70 TLR4 (0.58) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL6573468 0.67 GRIN2D (0.59) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL28482894 0.66 GRIN2D (0.67) MAPTTLR4SMN1; SMN2HTTNPC1
Water SCHEMBL6576235 0.64 MAPT (0.97) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5358309 0.63 CYP1A2 (0.49) MAPTGAAALDH1A1SMN1; SMN2HTT
SCHEMBL6576403 0.60 POLB (0.44) MAPTGAAALDH1A1HTTMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120405-B1 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes OREAL (FR) 2004-10-27 EP claimed
US-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes L'OREAL S.A. (FR) 2001-11-01 US claimed
EP-1120405-A2 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes L'OREAL (FR) 2001-08-01 EP claimed
EP-1120405-B1 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes OREAL (FR) 2004-10-27 EP disclosed
US-6652600-B2 Oxidation color dye L'OREAL S.A. (FR) 2003-11-25 US disclosed
US-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes L'OREAL S.A. (FR) 2001-11-01 US disclosed
EP-1120405-A2 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes L'OREAL (FR) 2001-08-01 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-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes KRT18, OGG1, UNG MAPT 1802/4885GAA 2127/4885ALDH1A1 785/4885

“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.