SCHEMBL2349072

SCHEMBL2349072

Nc1oc2ccccc2c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 5/20 0.59
GAA P10253 3/20 0.59
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
THRB P10828 1/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
NQO1 P15559 1/20 0.48
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
PGAM1 P18669 1/20 0.46
MAOA P21397 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL12778675 0.78 KDM4E (0.57) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL22273763 0.78 CA1 (0.73) KDM4EALDH1A1GAACA1CA2
SCHEMBL28961807 0.76 KDM4E (0.50) KDM4EALDH1A1GAACA1CA2
SCHEMBL22273765 0.76 KDM4E (0.47) KDM4EALDH1A1GAACA1CA2
SCHEMBL19233727 0.76 KDM4E (0.47) KDM4EALDH1A1GAACA1CA2
SCHEMBL17994122 0.76 KDM4E (0.55) KDM4EALDH1A1GAACA2MAPT
SCHEMBL21035694 0.76 KDM4E (0.55) KDM4EALDH1A1GAACA1CA2
SCHEMBL1979719 0.76 KDM4E (0.47) KDM4EALDH1A1GAACA1CA2
SCHEMBL17547190 0.76 KDM4E (0.50) KDM4EALDH1A1GAACA1CA2
SCHEMBL1230426 0.75 GAA (1.00) KDM4EALDH1A1GAAMAPTHPGD

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 22 patents — showing the first 20. 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
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 US disclosed
US-9206201-B2 Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-08 US 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-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-19 US 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
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
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
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
EP-0411304-B1 Acetylene bis-phthalic compounds and polyimides made therefrom GEN ELECTRIC (US) 1994-06-15 EP disclosed
EP-0411304-A1 Acetylene bis-phthalic compounds and polyimides made therefrom GENERAL ELECTRIC COMPANY (US) 1991-02-06 EP disclosed
US-4973707-A Acetylene bis-phthalic compounds and polyimides made therefrom GENERAL ELECTRIC COMPANY (US) 1990-11-27 US disclosed
EP-0026474-B1 COMPOSITION AND PROCESS FOR OXIDATIVE DYEING OF HAIR Wella Aktiengesellschaft (DE) 1983-06-08 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-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B PIK3CA, PIK3C2A, PI4KA KDM4E 985/4885ALDH1A1 3574/4885GAA 417/4885
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 KDM4E 318/4885ALDH1A1 1792/4885GAA 2045/4885
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 KDM4E 4054/4885ALDH1A1 63/4885GAA 1812/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 KDM4E 1620/4885ALDH1A1 1097/4885GAA 4874/4885

“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.