SCHEMBL6000696

SCHEMBL6000696

N/C(=C\N(N)Cc1ccccc1)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.44
NPSR1 Q6W5P4 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTR6 P50406 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL6000697 0.86 HDAC1 (0.34) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL2733401 0.79 MAPT (0.46) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL40548 0.78 KDM5A (0.49) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL39927 0.74 HPGD (0.49) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL39747 0.73 SIRT6 (0.49) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL2720586 0.73 SERPINE1 (0.44) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL15420839 0.73 CYP19A1 (0.45) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL15420836 0.73 CYP19A1 (0.45) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL18040373 0.73 SERPINE1 (0.44) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL46697 0.72 HPGD (0.60) MAPTNPSR1CYP1A2CYP2C19CYP2C9

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
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-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
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 (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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MAPT 3957/4885NPSR1 818/4885CYP1A2 1143/4885

“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.