SCHEMBL45060

SCHEMBL45060

O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.46
SIRT6 Q8N6T7 2/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL45796 0.88 MEN1 (0.42) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1697043 0.85 MEN1 (0.47) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL45089 0.85 KMT2A (0.46) MAPTMEN1KMT2ALMNAHTT
SCHEMBL10226318 0.83 MEN1 (0.49) SIRT6MAPTMEN1KMT2ALMNA
SCHEMBL1696908 0.80 SERPINE1 (0.43) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL1696339 0.80 MEN1 (0.43) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL45214 0.77 SERPINE1 (0.47) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL10225103 0.76 USP30 (0.49) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL45810 0.76 SERPINE1 (0.46) SERPINE1SIRT6MAPTMEN1KMT2A
SCHEMBL16691234 0.75 SERPINE1 (0.44) SERPINE1SIRT6MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 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
EP-2590655-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006473-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

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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 SERPINE1 2242/4885SIRT6 3195/4885MAPT 3469/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SERPINE1 2313/4885SIRT6 3256/4885MAPT 3270/4885

“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.