SCHEMBL44782

SCHEMBL44782

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 4/20 0.43
SCN2A Q99250 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
KIF11 P52732 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 1/20 0.40
APLNR P35414 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL29614959 1.00 KEAP1 (0.53) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL25215053 0.82 HTR2A (0.47) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL31095263 0.82 HTR2A (0.47) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL31095377 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BUSP30
SCHEMBL20589417 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BUSP30
SCHEMBL4166591 0.79 HTR2A (0.47) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL15976503 0.78 HTR2A (0.47) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL19031388 0.78 HTR2A (0.57) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL31095257 0.77 KEAP1 (0.52) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL25200431 0.77 KEAP1 (0.52) KEAP1NFE2L2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed
CN-109803963-A The heterocycle that cyano with USP30 inhibitor activity replaces 特殊治疗有限公司 2019-05-24 CN disclosed
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
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-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-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
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-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 KEAP1 4251/4885NFE2L2 4577/4885HTR2A 1903/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KEAP1 3996/4885NFE2L2 4375/4885HTR2A 3601/4885

“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.