SCHEMBL44878

SCHEMBL44878

COC(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.79
ALDH1A1 P00352 8/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.60
MAPT P10636 13/20 0.60
CYP1A2 P05177 4/20 0.60
CYP2C19 P33261 4/20 0.60
CYP2C9 P11712 3/20 0.60
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.55
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL20509684 0.99 SIRT6 (0.81) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL22652232 0.88 SIRT6 (1.00) SIRT6ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL7987904 0.88 SIRT6 (0.69) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL21683030 0.87 SIRT6 (0.76) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL5624466 0.87 SIRT6 (0.76) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL21682911 0.86 SIRT6 (0.74) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL268283 0.86 MAPT (0.61) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL11736626 0.85 MAPT (0.76) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL40110 0.83 HPGD (0.62) SIRT6ALDH1A1LMNAHPGDMAPT
SCHEMBL340455 0.83 MAPT (0.78) SIRT6ALDH1A1LMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 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 (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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SIRT6 3256/4885ALDH1A1 3332/4885LMNA 3817/4885
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 SIRT6 1904/4885ALDH1A1 3022/4885LMNA 2001/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 SIRT6 2238/4885ALDH1A1 2872/4885LMNA 1925/4885

“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.