SCHEMBL2271969

SCHEMBL2271969

COc1ccc(N)c2c1NCCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.45
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA1A P35348 1/20 0.38
IDO1 P14902 1/20 0.37
ACHE P22303 1/20 0.36
EP300 Q09472 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL7038613 0.90 ALDH1A1 (0.41) PARP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29187807 0.83 PARP1 (0.47) PARP1ADRA1A
SCHEMBL5464408 0.81 PARP1 (0.44) PARP1ALDH1A1ADRA1A
SCHEMBL10911484 0.80 KDM4E (0.46) PARP1ALDH1A1HSD17B10TDP1ADRA1A
SCHEMBL30826400 0.78 PARP1 (0.43) PARP1ADRA1A
SCHEMBL29187798 0.78 PARP1 (0.43) PARP1ADRA1A
SCHEMBL10692184 0.75 PARP1 (0.41) PARP1ALDH1A1HSD17B10TDP1
SCHEMBL19337381 0.74 ADRA1A (0.53) PARP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL16372577 0.74 ADRA1A (0.53) PARP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL10692188 0.74 PARP1 (0.40) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP claimed
US-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-09-03 US disclosed
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-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
EP-2182914-A2 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 (FR) 2010-05-12 EP disclosed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP disclosed
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP disclosed
WO-2009019383-A2 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 (FR) 2009-02-12 WO disclosed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO disclosed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 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 (2 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-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION KRT18, TUBA1C, TPM4 PARP1 938/4885ALDH1A1 917/4885CYP3A4 1687/4885
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 2891/4885ALDH1A1 1691/4885CYP3A4 1094/4885

“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.