SCHEMBL4445914

SCHEMBL4445914

O=c1cc[nH]c(=O)n1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ERCC1 P07992 1/20 0.38
DNASE1 P24855 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX12 P18054 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CACNA1B Q00975 2/20 0.38
APBA1 Q02410 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
CCR6 P51684 1/20 0.38
APP P05067 1/20 0.37
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK8 P45983 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL417962 0.79 DAO (0.37) ERCC1DNASE1FEN1ERCC4ALDH1A1
SCHEMBL27701056 0.72 BRD4 (0.33)
SCHEMBL2181559 0.72
SCHEMBL30750905 0.72 CYP1A2 (0.41) CYP1A2ERCC1DNASE1FEN1ERCC4
SCHEMBL8978393 0.71 RAB9A (0.36) CYP1A2ALDH1A1MAPTHPGDNPSR1
SCHEMBL5796882 0.70 KDM4E (0.41) ERCC1DNASE1FEN1ERCC4ALDH1A1
SCHEMBL7965650 0.70 ADRA2B (0.40) CYP1A2ALDH1A1ALOX12MAPTHPGD
SCHEMBL9277794 0.69
SCHEMBL6448705 0.69 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX12MAPTHPGD
SCHEMBL3323716 0.67 ALDH1A1 (0.39) CYP1A2ALDH1A1ALOX12MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910454-B2 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2016-11-30 EP disclosed
EP-1910454-B1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1910454-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA Additives GmbH & Co. KG (DE) 2008-04-16 EP disclosed
WO-2006136191-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO. KG (DE) 2006-12-28 WO disclosed
US-20060122201-A1 Uracil-thioether BAYER HEALTHCARE AG (DE) 2006-06-08 US disclosed
US-20060100224-A1 Piperidine ouracil used as a medicament for treating bacterial infections BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1499612-A1 PIPERIDINE OURACIL USED AS A MEDICAMENT FOR TREATING BACTERIAL INFECTIONS Bayer HealthCare AG (DE) 2005-01-26 EP disclosed
EP-1480958-A1 URACIL-THIOETHER Bayer HealthCare AG (DE) 2004-12-01 EP disclosed
WO-2003072574-A1 PIPERIDINE OURACIL USED AS A MEDICAMENT FOR TREATING BACTERIAL INFECTIONS BAYER HEALTHCARE AG (DE) 2003-09-04 WO disclosed
WO-2003072551-A1 URACIL-THIOETHER BAYER HEALTHCARE AG (DE) 2003-09-04 WO disclosed
WO-2003053959-A1 HETEROCYCLYLAMINO CARBONYLURACILS BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed
WO-2003000664-A1 URACIL DERIVATIVES AND THE USE THEREOF FOR TREATING BACTERIAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2003-01-03 WO disclosed
WO-2003000665-A1 ANTIBACTERIAL URACIL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2003-01-03 WO 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-20060122201-A1 Uracil-thioether TPMT, HPRT1, UNG CYP1A2 834/4885ERCC1 234/4885DNASE1 673/4885
US-20060100224-A1 Piperidine ouracil used as a medicament for treating bacterial infections BPGM, AMPD2, AMPD1 CYP1A2 3137/4885ERCC1 3696/4885DNASE1 800/4885

“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.