SCHEMBL16808359

SCHEMBL16808359

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCC(C)(C)CC3)cc2-c2cc(C(=O)NCc3cccc(CF)c3)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.41
HDAC1 Q13547 5/20 0.41
SLC34A2 O95436 1/20 0.38
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
DRD4 P21917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
WDR5 P61964 1/20 0.34
DDR2 Q16832 1/20 0.34
ALK Q9UM73 1/20 0.34
HTR2A P28223 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL15444421 0.93 KDM1A (0.42) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL15432678 0.92 SLC34A2 (0.46) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL15444468 0.92 KDM1A (0.42) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL16808343 0.90 KDM1A (0.39) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL15444445 0.88 KDM1A (0.38) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL15444460 0.87 SLC34A2 (0.43) KDM1AHDAC1SLC34A2ROCK2ROCK1
SCHEMBL16365455 0.86 SLC34A2 (0.37) KDM1AHDAC1SLC34A2ROCK2ROCK1
SCHEMBL16365456 0.86 SLC34A2 (0.36) KDM1AHDAC1SLC34A2ROCK2ROCK1
SCHEMBL6001362 0.85 SLC34A2 (0.48) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL16365752 0.85 SLC34A2 (0.42) KDM1AHDAC1SLC34A2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2715/4885SLC34A2 1/4885

“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.