SCHEMBL15976503

SCHEMBL15976503

O=[N+]([O-])c1cn(-c2cccc(CF)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FGFR1 P11362 2/20 0.34
SOS1 Q07889 1/20 0.33

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
SCHEMBL25200436 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BTAAR1ALDH1A1
SCHEMBL31095502 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BTAAR1ALDH1A1
SCHEMBL31095263 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1KEAP1
SCHEMBL25215053 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1KEAP1
SCHEMBL4166591 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1KEAP1
SCHEMBL29614959 0.78 KEAP1 (0.53) HTR2AHTR2CHTR2BKEAP1NFE2L2
SCHEMBL44782 0.78 KEAP1 (0.53) HTR2AHTR2CHTR2BKEAP1NFE2L2
SCHEMBL19031388 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BTAAR1ALDH1A1
SCHEMBL25200431 0.77 KEAP1 (0.52) HTR2AHTR2CHTR2BALDH1A1PKM
SCHEMBL31095257 0.77 KEAP1 (0.52) HTR2AHTR2CHTR2BALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US 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

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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 HTR2A 1903/4885HTR2C 2556/4885HTR2B 2238/4885

“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.