SCHEMBL4932718

SCHEMBL4932718

CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
HRH4 Q9H3N8 2/20 0.53
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
SLC6A9 P48067 5/20 0.52
ALDH1A1 P00352 4/20 0.50
WDR5 P61964 1/20 0.50
SLC6A5 Q9Y345 4/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL6815365 0.88 MAPT (0.67) MAPTPOLBSLC6A9ALDH1A1SLC6A5
SCHEMBL20569608 0.87 KMT2A (0.58) MAPTPOLBSLC6A9ALDH1A1SLC6A5
SCHEMBL30309521 0.83 L3MBTL1 (0.58) L3MBTL1HRH4MAPTPOLBSLC6A9
SCHEMBL18775266 0.82 L3MBTL1 (0.59) L3MBTL1HRH4MAPTPOLBSLC6A9
SCHEMBL10519748 0.82 POLB (0.77) L3MBTL1HRH4MAPTPOLBALDH1A1
SCHEMBL30309424 0.81 HRH4 (0.59) L3MBTL1HRH4MAPTPOLBALDH1A1
SCHEMBL2306545 0.81 L3MBTL1 (0.58) L3MBTL1HRH4MAPTPOLBALDH1A1
SCHEMBL17979825 0.79 L3MBTL1 (0.59) L3MBTL1HRH4MAPTPOLBSLC6A9
SCHEMBL15286036 0.79 HRH4 (0.49) L3MBTL1HRH4POLBLMNAMEN1
SCHEMBL29959110 0.79 NR1H2 (0.52) L3MBTL1HRH4LMNAMEN1KMT2A

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
US-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-12-07 US disclosed
US-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-12-07 US disclosed
US-9765072-B2 1H-1,8-naphthyridin-2ones as anti proliferative compounds NATCO PHARMA LIMITED (US) 2017-09-19 US disclosed
US-9765072-B2 1H-1,8-naphthyridin-2ones as anti proliferative compounds NATCO PHARMA LIMITED (US) 2017-09-19 US disclosed
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-04-27 US disclosed
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-04-27 US disclosed
EP-3152205-A1 1H-1,8- NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS Natco Pharma Limited (IN) 2017-04-12 EP disclosed
WO-2015186137-A1 1H-1,8- NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2015-12-10 WO disclosed
WO-2015186137-A1 1H-1,8- NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2015-12-10 WO disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
CN-101291917-A Diaryl urea derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2008-10-22 CN disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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 (3 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-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, MCL1 L3MBTL1 3134/4885HRH4 3413/4885MAPT 3385/4885
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA L3MBTL1 2520/4885HRH4 1639/4885MAPT 450/4885
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, ABL2 L3MBTL1 3662/4885HRH4 3219/4885MAPT 3570/4885

“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.