SCHEMBL457580

SCHEMBL457580

Nc1cnn2c(C(CO)NCCO)ccnc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
SMPD3 Q9NY59 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
SCHEMBL1232073 0.78 KDM4E (0.32)
SCHEMBL1824267 0.77
SCHEMBL126959 0.74 SMPD3 (0.35) SMPD3
SCHEMBL7252580 0.70 TLR7 (0.33)
SCHEMBL5690062 0.68 KCNQ3 (0.36) GPR119SMPD3
SCHEMBL127121 0.66 SMPD3 (0.43) SMPD3
SCHEMBL3224680 0.66 SMPD3 (0.35) GPR119SMPD3
SCHEMBL5229211 0.66 SMPD3 (0.35) SMPD3
SCHEMBL127655 0.66 SMPD3 (0.35) SMPD3
SCHEMBL125976 0.65 SMPD3 (0.50) SMPD3

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6312479-B1 OXIDATION BASE; COUPLER CHOSEN FROM 2-AMINO-3-HYDROXYPYRIDINES AND ACID-ADDITION SALTS THEREOF; A 2-ELECTRON OXIDOREDUCTASE; AND A DONOR FOR SAID ENZYME. L'OREAL S.A. (FR) 2001-11-06 US claimed
EP-3233854-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING A PYRAZOLOPYRIDINE UNIT L'OREAL (FR) 2017-10-25 EP disclosed
WO-2016097196-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING A PYRAZOLOPYRIDINE UNIT L'OREAL (FR) 2016-06-23 WO disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
WO-2013069165-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013069167-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013069168-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013069166-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
EP-2566443-A1 READY-TO-USE COSMETIC COMPOSITION FOR OXIDATION DYEING KERATIN FIBERS L'Oréal (FR) 2013-03-13 EP disclosed
EP-2552596-A2 AIRBRUSH L'Oréal (FR) 2013-02-06 EP disclosed
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO disclosed
WO-2005013929-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2005-02-17 WO disclosed
WO-2004111062-A1 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A DIAZACYCLOHEPTANE RING SUBSTITUTED WITH A SILYL RADICAL, FOR DYEING KERATIN FIBRES L'OREAL (FR) 2004-12-23 WO disclosed
WO-2004103327-A1 DYEING COMPOSITION COMPRISING AT LEAST ONE DYE PRECURSOR AND ONE AMPHIPHILIC BLOCK COPOLYMER L'OREAL (FR) 2004-12-02 WO disclosed
WO-2004098550-A1 PROCESS FOR TREATING KERATIN FIBRES BY APPLYING HEAT L'OREAL (FR) 2004-11-18 WO disclosed
WO-2004043417-A2 COMPOSITION FOR DYEING KERATIN FIBRES CONTAINING A DYE PRECURSOR AND AN ENZYME WITH NITROREDUCTASE ACTIVITY L'OREAL (FR) 2004-05-27 WO disclosed
US-6626962-B1 Oxidation color dyes for hair, conditioner L'OREAL S.A. (FR) 2003-09-30 US disclosed
US-20020189028-A9 Oxidising composition for treating keratin fibres L'OREAL S.A. 2002-12-19 US disclosed
CN-1336168-A Oxidation compositions used for dyeing, long term shaping and bleaching keratin fiber OREAL (FR) 2002-02-20 CN disclosed
US-6312479-B1 OXIDATION BASE; COUPLER CHOSEN FROM 2-AMINO-3-HYDROXYPYRIDINES AND ACID-ADDITION SALTS THEREOF; A 2-ELECTRON OXIDOREDUCTASE; AND A DONOR FOR SAID ENZYME. L'OREAL S.A. (FR) 2001-11-06 US 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-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 GPR119 709/4885SMPD3 575/4885
US-20020189028-A9 Oxidising composition for treating keratin fibres KRT18, GLA, UGCG GPR119 1762/4885SMPD3 777/4885

“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.