SCHEMBL47071

SCHEMBL47071

Nc1nnc(-c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
SCN2A Q99250 2/20 0.55
XDH P47989 1/20 0.54
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
STAT6 P42226 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
Trifluoromethylbenzene SCHEMBL28102258 0.85 SCN2A (0.49) HRH1HRH4SCN2AXDHTSHR
SCHEMBL31429139 0.81 SCN2A (0.55) HRH1HRH4SCN2AXDHTSHR
SCHEMBL20812634 0.78 NPC1 (0.51) KDM4EHSD17B10MEN1NPC1ALDH1A1
SCHEMBL16842655 0.77 SCN2A (0.51) HRH1HRH4SCN2ATSHRKDM4E
SCHEMBL15329978 0.77 SCN2A (0.51) HRH1HRH4SCN2AXDHTSHR
SCHEMBL17125488 0.75 HRH1 (0.54) HRH1HRH4TSHRKDM4EHSD17B10
SCHEMBL21763890 0.74 MAPK14 (0.53) HRH1HRH4SCN2ATSHRKDM4E
SCHEMBL18284795 0.73 KDM4E (0.57) HRH1HRH4SCN2AXDHTSHR
SCHEMBL538459 0.73 NPC1 (0.52) SCN2AXDHKDM4EMEN1NPC1
SCHEMBL12130535 0.72 SCN2A (0.53) HRH1HRH4SCN2AXDHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2590655-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 HRH1 3101/4885HRH4 2479/4885SCN2A 1126/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HRH1 2567/4885HRH4 1993/4885SCN2A 1655/4885

“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.