SCHEMBL16804643

SCHEMBL16804643

CN(CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.43
RAF1 P04049 6/20 0.43
SLC34A2 O95436 1/20 0.42
KDM1A O60341 2/20 0.39
HDAC1 Q13547 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
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
SCHEMBL46676 0.95 SLC34A2 (0.43) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL40137 0.93 CHRM3 (0.43) BRAFRAF1SLC34A2HRH4KDM4E
SCHEMBL40133 0.93 SLC34A2 (0.41) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL46466 0.93 SLC34A2 (0.41) BRAFRAF1SLC34A2HRH4KDM4E
SCHEMBL46807 0.92 SLC34A2 (0.41) BRAFRAF1SLC34A2HRH4KDM4E
SCHEMBL10290802 0.91 BRAF (0.42) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL15432532 0.91 SLC34A2 (0.43) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL39748 0.90 SLC34A2 (0.41) BRAFSLC34A2HDAC1HRH4KDM4E
SCHEMBL40227 0.89 SLC34A2 (0.41) BRAFRAF1SLC34A2HRH4KDM4E
SCHEMBL10290803 0.89 SLC34A2 (0.41) BRAFSLC34A2HRH4

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 4 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-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

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 BRAF 3436/4885RAF1 3203/4885SLC34A2 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.