SCHEMBL45239

SCHEMBL45239

CCN(CC)c1ccc([N+](=O)[O-])c(-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TAS1R2 Q8TE23 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL45238 1.00 POLB (0.54) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40217 0.87 ALDH1A1 (0.52) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40433 0.87 ALDH1A1 (0.52) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL44536 0.87 TAS1R3 (0.61) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL44535 0.87 TAS1R3 (0.61) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40772 0.84 TAS1R3 (0.50) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40121 0.84 TAS1R3 (0.50) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL45686 0.83 CFD (0.58) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL16355253 0.82 LMNA (0.60) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40139 0.82 POLB (0.53) POLBKMT2AMEN1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 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-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 (2 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 POLB 2222/4885KMT2A 4695/4885MEN1 2404/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 POLB 1451/4885KMT2A 4830/4885MEN1 3183/4885

“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.