SCHEMBL6573488

SCHEMBL6573488

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TLR4 O00206 1/20 0.55
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GRIN2D O15399 10/20 0.49
GRIN3B O60391 10/20 0.49
GRIN1 Q05586 10/20 0.49
GRIN2A Q12879 10/20 0.49
GRIN2B Q13224 10/20 0.49
GRIN2C Q14957 10/20 0.49
GRIN3A Q8TCU5 10/20 0.49
NPSR1 Q6W5P4 1/20 0.47
FURIN P09958 2/20 0.47

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
Hydrochloric Acid SCHEMBL7266109 0.98 TLR4 (0.58) MAPTGAAALDH1A1TLR4NPC1
SCHEMBL6574017 0.84 TLR4 (0.52) MAPTGAAALDH1A1TLR4GRIN2D
SCHEMBL6573468 0.77 GRIN2D (0.59) MAPTGAAALDH1A1TLR4NPC1
SCHEMBL6573896 0.77 MAPT (0.49) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL28482894 0.76 GRIN2D (0.67) MAPTTLR4NPC1RAB9ASMN1; SMN2
SCHEMBL10061889 0.74 CA2 (0.55) MAPTGAAALDH1A1NPC1RAB9A
Water SCHEMBL6576235 0.73 MAPT (0.97) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL6576397 0.71 MAPT (0.48) MAPTGAAALDH1A1TLR4NPC1
SCHEMBL6573971 0.71 TLR4 (0.40) MAPTGAAALDH1A1TLR4SMN1; SMN2
SCHEMBL6573504 0.71 HTR1A (0.55) MAPTGAAALDH1A1TLR4GRIN2D

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.