SCHEMBL40327

SCHEMBL40327

O=C(Nc1ncc(-c2cccc(C(F)(F)F)c2)s1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
AGTR1 P30556 1/20 0.51
HTT P42858 1/20 0.51
STAT3 P40763 3/20 0.48
ATG4B Q9Y4P1 1/20 0.45
ABL1 P00519 1/20 0.45
EIF4E P06730 1/20 0.45
KDR P35968 1/20 0.44
P2RX1 P51575 3/20 0.44
P2RX4 Q99571 2/20 0.44
P2RX7 Q99572 2/20 0.44
SLC2A1 P11166 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44

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
SCHEMBL1696339 0.84 MEN1 (0.43) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL10226320 0.83 MAPT (0.64) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL40455 0.81 KMT2A (0.46) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL45089 0.77 KMT2A (0.46) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL5836737 0.76 KMT2A (0.61) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL5051437 0.75 IL2 (0.66) KMT2AMEN1ABL1KDRSTIM1
SCHEMBL6248559 0.74 KDR (0.71) LMNAMAPTALDH1A1KDRP2RX1
SCHEMBL44719 0.73 LMNA (0.46) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL21381354 0.73 KCNMA1 (0.56) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL594373 0.72 KDR (0.50) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2

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 11 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
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-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-20130336921-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 US disclosed
EP-2590655-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-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 (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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 KMT2A 4733/4885MEN1 2609/4885LMNA 3035/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KMT2A 4830/4885MEN1 3183/4885LMNA 3817/4885
US-20130336921-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 KMT2A 4733/4885MEN1 2609/4885LMNA 3035/4885

“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.