SCHEMBL46984

SCHEMBL46984

CC(=O)N1CCN(CCN(C)Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4ccccc4)ccn3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
HDAC1 Q13547 4/20 0.42
SMYD2 Q9NRG4 6/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCR3 P49682 1/20 0.38
ITK Q08881 1/20 0.38
SLC34A2 O95436 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL40118 0.91 CHRM3 (0.43) KDM1AHDAC1SMYD2CXCR3SLC34A2
SCHEMBL40112 0.87 SLC34A2 (0.48) KDM1AHDAC1SMYD2KDM4ESLC34A2
SCHEMBL39969 0.84 SLC34A2 (0.45) KDM1AHDAC1SMYD2MAPTKDM4E
SCHEMBL46466 0.84 SLC34A2 (0.41) SMYD2KDM4ESLC34A2ROCK2
SCHEMBL39823 0.84 SLC34A2 (0.46) KDM1AHDAC1KDM4ESLC34A2
SCHEMBL40739 0.83 SLC34A2 (0.46) SMYD2NPSR1SLC34A2ROCK2
SCHEMBL46529 0.83 SLC34A2 (0.46) KDM1AHDAC1SMYD2KDM4ESLC34A2
SCHEMBL15432568 0.83 SLC34A2 (0.45) KDM1AHDAC1SMYD2KDM4ESLC34A2
SCHEMBL46679 0.83 SLC34A2 (0.47) SMYD2KDM4ESLC34A2ROCK2
SCHEMBL18482714 0.83 SLC34A2 (0.44) KDM1AHDAC1SMYD2KDM4ESLC34A2

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 13 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
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 KDM1A 4426/4885HDAC1 2715/4885SMYD2 4600/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM1A 4426/4885HDAC1 2715/4885SMYD2 4600/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KDM1A 4841/4885HDAC1 3309/4885SMYD2 4638/4885

“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.