SCHEMBL40548

SCHEMBL40548

O=C(O)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
ALDH1A1 P00352 12/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 11/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 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
SCHEMBL39747 0.87 SIRT6 (0.49) KDM4CALDH1A1HPGDMAPTCYP1A2
SCHEMBL2733401 0.84 MAPT (0.46) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL46697 0.84 HPGD (0.60) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL39825 0.83 HPGD (0.52) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL40022 0.81 HPGD (0.50) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL39894 0.80 HPGD (0.49) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL39927 0.80 HPGD (0.49) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL40139 0.79 POLB (0.53) ALDH1A1LMNAKMT2AMEN1
SCHEMBL6000696 0.78 MAPT (0.44) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL39725 0.78 HPGD (0.52) ALDH1A1HPGDMAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 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-2590656-A2 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-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 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 (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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM5A 4382/4885KDM4C 4287/4885KDM5B 4304/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM5A 4382/4885KDM4C 4287/4885KDM5B 4304/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KDM5A 4715/4885KDM4C 4537/4885KDM5B 4538/4885

“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.