SCHEMBL6573966

SCHEMBL6573966

NC(N)=NN=Cc1cc(NCC(O)O)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.40
GRIN2D O15399 12/20 0.39
GRIN3B O60391 12/20 0.39
GRIN1 Q05586 12/20 0.39
GRIN2A Q12879 12/20 0.39
GRIN2B Q13224 12/20 0.39
GRIN2C Q14957 12/20 0.39
GRIN3A Q8TCU5 12/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FURIN P09958 2/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPP1R15A O75807 1/20 0.35
MELK Q14680 1/20 0.35
PPP1R15B Q5SWA1 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
SCHEMBL6576397 0.86 MAPT (0.48) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6573971 0.76 TLR4 (0.40) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6572568 0.73 HTR1A (0.45) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6574017 0.73 TLR4 (0.52) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6573504 0.71 HTR1A (0.55) TLR4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7266211 0.70 TLR4 (0.58) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6574739 0.67 GRIN2D (0.59) TLR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7030236 0.63 MAPT (0.41) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6657434 0.61 DDX3X (0.48) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6576403 0.60 POLB (0.44) MAPTALDH1A1GAAHTT

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 TLR4 3637/4885GRIN2D 3837/4885GRIN3B 3326/4885

“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.