SCHEMBL39747

SCHEMBL39747

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 8/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 12/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP2C9 P11712 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
KMT2A Q03164 5/20 0.46
JMJD6 Q6NYC1 1/20 0.46
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.44
CYP2D6 P10635 2/20 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
SCHEMBL40548 0.87 KDM5A (0.49) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL40451 0.83 KDM4E (0.52) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL46697 0.82 HPGD (0.60) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL39825 0.79 HPGD (0.52) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL2733401 0.79 MAPT (0.46) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL40022 0.78 HPGD (0.50) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL39894 0.77 HPGD (0.49) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL39927 0.77 HPGD (0.49) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL44878 0.77 SIRT6 (0.79) SIRT6ALDH1A1LMNAMAPTCYP1A2
SCHEMBL16924088 0.76 ALDH1A1 (0.50) SIRT6ALDH1A1LMNAMAPTCYP1A2

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 26 patents — showing the first 20. 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
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
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
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-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 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
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SIRT6 3637/4885ALDH1A1 2892/4885LMNA 2948/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SIRT6 3256/4885ALDH1A1 3332/4885LMNA 3817/4885
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SIRT6 3637/4885ALDH1A1 2892/4885LMNA 2948/4885

“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.