SCHEMBL5655367

SCHEMBL5655367

Cc1nn(-c2ccccc2)c(N)c1N=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.68
MAPT P10636 11/20 0.68
RAB9A P51151 10/20 0.68
NPC1 O15118 9/20 0.68
TDP1 Q9NUW8 6/20 0.68
HPGD P15428 4/20 0.68
KMT2A Q03164 3/20 0.68
HTT P42858 2/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 2/20 0.59
ALOX12 P18054 1/20 0.59
LMNA P02545 5/20 0.58
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
POLB P06746 1/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50

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
SCHEMBL11119050 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL8999229 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL8999235 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL9385586 0.78 MAPT (1.00) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL34059 0.77 SMN1; SMN2 (0.72) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL2461662 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MAPTRAB9ANPC1TDP1
Hydrochloric Acid SCHEMBL5228080 0.75 SMN1; SMN2 (0.70) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL5229703 0.75 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL5229696 0.75 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL8999448 0.75 MAPT (0.76) SMN1; SMN2MAPTRAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US disclosed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US disclosed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US disclosed
US-6338741-B1 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2002-01-15 US disclosed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US disclosed
EP-0740931-B1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation OREAL (FR) 1997-08-20 EP disclosed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO disclosed
EP-0740931-A1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation L'OREAL (FR) 1996-11-06 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 (3 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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 SMN1; SMN2 4233/4885MAPT 186/4885RAB9A 4445/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 SMN1; SMN2 4233/4885MAPT 186/4885RAB9A 4445/4885
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 SMN1; SMN2 4744/4885MAPT 857/4885RAB9A 3691/4885

“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.