SCHEMBL44865

SCHEMBL44865

Cc1ccc(-n2ccc(NC(=O)c3cc(N4CCCCC4)ccc3[N+](=O)[O-])n2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
SIRT6 Q8N6T7 4/20 0.44
MAPT P10636 9/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL44980 0.87 IP6K1 (0.46) HPGDMAPTALDH1A1KMT2ALMNA
SCHEMBL44818 0.85 KMT2A (0.47) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL45214 0.83 SERPINE1 (0.47) SIRT6MAPTKMT2ALMNAL3MBTL1
SCHEMBL40233 0.79 HPGD (0.47) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL1696925 0.78 HPGD (0.49) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL25657565 0.76 HPGD (0.47) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL17493124 0.74 SIRT6 (0.48) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL27957504 0.73 MAPT (0.58) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL1140179 0.72 POLB (0.57) HPGDSIRT6MAPTALDH1A1CYP1A2
SCHEMBL11736626 0.71 MAPT (0.76) HPGDSIRT6MAPTALDH1A1CYP1A2

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 16 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
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 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
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-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
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 HPGD 746/4885SIRT6 3195/4885MAPT 3469/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HPGD 809/4885SIRT6 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.