SCHEMBL46429

SCHEMBL46429

Cc1cccc(CNc2cc(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])ncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.53
CYP2C19 P33261 15/20 0.53
CYP3A4 P08684 13/20 0.53
CYP2D6 P10635 9/20 0.53
HPGD P15428 9/20 0.53
ALDH1A1 P00352 8/20 0.53
TSHR P16473 7/20 0.53
MAPK1 P28482 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALOX15 P16050 1/20 0.53
CLK4 Q9HAZ1 5/20 0.52
MAPT P10636 8/20 0.50
CYP2C9 P11712 4/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 7/20 0.48
HSD17B10 Q99714 7/20 0.48
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL40042 0.87 SERPINE1 (0.51) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL39893 0.84 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2D6HPGD
SCHEMBL40475 0.79 SERPINE1 (0.45) CYP1A2CYP2C19CYP3A4ALDH1A1MAPK1
Prochloraz SCHEMBL45661 0.78 AHR (0.49) CYP1A2CYP2C19CYP3A4CYP2D6HPGD
SCHEMBL46697 0.77 HPGD (0.60) CYP1A2CYP2C19CYP3A4HPGDALDH1A1
SCHEMBL46439 0.74 ABL1 (0.47) CYP1A2CYP2C19HPGDALDH1A1MAPK1
SCHEMBL39725 0.74 HPGD (0.52) CYP1A2CYP2C19CYP3A4HPGDALDH1A1
SCHEMBL40152 0.74 SERPINE1 (0.50) CYP1A2CYP2C19CYP3A4ALDH1A1MAPK1
SCHEMBL45418 0.73 MAPT (0.43) CYP1A2CYP2C19CYP3A4CYP2D6HPGD
SCHEMBL40398 0.73 MAPT (0.49) CYP1A2CYP2C19CYP3A4HPGDALDH1A1

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 14 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-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 (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 CYP1A2 1143/4885CYP2C19 379/4885CYP3A4 582/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CYP1A2 1143/4885CYP2C19 379/4885CYP3A4 582/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CYP1A2 2901/4885CYP2C19 1040/4885CYP3A4 1042/4885

“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.