SCHEMBL3535914

SCHEMBL3535914

Nc1cc(N2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 7/20 0.64
SIRT6 Q8N6T7 4/20 0.64
RECQL P46063 1/20 0.60
HTR7 P34969 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL4772717 0.83 MAPT (0.72) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL31306580 0.82 MAPT (0.71) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL13548702 0.81 GAA (0.49) LMNAMAPTSIRT6RECQLL3MBTL1
SCHEMBL2553773 0.81 MAPT (0.69) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL4256259 0.80 LMNA (0.64) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL30059159 0.79 LMNA (1.00) LMNAMAPTSIRT6RECQLL3MBTL1
SCHEMBL25877527 0.79 LMNA (0.94) LMNAMAPTSIRT6RECQLL3MBTL1
SCHEMBL3109069 0.79 LMNA (1.00) LMNAMAPTSIRT6RECQLL3MBTL1
SCHEMBL2553652 0.79 MAPT (0.70) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL24195921 0.78 HTR6 (0.44) LMNAMAPTRECQLL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 EP disclosed
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 US disclosed
EP-3713941-A1 PYRAZOLOPYRIDINONE COMPOUNDS Janssen Pharmaceutica NV (BE) 2020-09-30 EP disclosed
WO-2019101182-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-05-31 WO disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK LMNA 2670/4885MAPT 19/4885SIRT6 4196/4885
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS FGFR1, FGFR3, FGFR2 LMNA 4095/4885MAPT 1516/4885SIRT6 2510/4885
US-11691970-B2 Pyrazolopyridinone compounds FGFR1, FGFR3, FGFR2 LMNA 4095/4885MAPT 1516/4885SIRT6 2510/4885

“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.