SCHEMBL2269405

SCHEMBL2269405

CC1Oc2c(N)ccc(N)c2O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4498507 0.77 CHRNB4 (0.41) TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL14661588 0.72 PARP1 (0.40) PARP1
SCHEMBL9515589 0.72 PARP1 (0.40) PARP1
SCHEMBL12422694 0.69 BRD4 (0.32)
Hydrochloric Acid SCHEMBL10842390 0.65 PTK2 (0.35) TDP1MEN1KMT2A
SCHEMBL2268647 0.60 CHRNB4 (0.41) TDP1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL353825 0.59 PARP1 (0.40) PARP1
Hydrochloric Acid SCHEMBL9511843 0.57 MAPT (0.37) SMN1; SMN2
SCHEMBL4825996 0.56 PARP1 (0.39) PARP1TDP1MEN1KMT2ATP53
SCHEMBL13055491 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
EP-2175830-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES ORÉAL L (FR) 2015-09-30 EP disclosed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 EP disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 EP disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 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 (4 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-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers KRT18, VIM, CDC73 PARP1 560/4885TDP1 2157/4885MEN1 4089/4885
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN PARP1 4135/4885TDP1 3170/4885MEN1 4849/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM PARP1 2891/4885TDP1 3544/4885MEN1 1247/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 PARP1 386/4885TDP1 842/4885MEN1 1172/4885

“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.