SCHEMBL1679933

SCHEMBL1679933

COC(=O)c1cc(Oc2ccc(SC(F)(C(F)(F)F)C(F)(F)F)cc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH3A1 P30838 1/20 0.38
HSPB1 P04792 2/20 0.36
SIRT6 Q8N6T7 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
USP10 Q14694 1/20 0.35
PTPN1 P18031 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
VCAM1 P19320 1/20 0.34
KCNK2 O95069 1/20 0.34
KCNK10 P57789 1/20 0.34

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
SCHEMBL1679958 0.85 TDP1 (0.49) TDP1ALDH1A1HPGDNPSR1ALDH3A1
SCHEMBL13044872 0.78 TDP1 (0.51) TDP1ALDH1A1HPGDNPSR1MAPT
SCHEMBL1679937 0.75 TDP1 (0.50) TDP1ALDH1A1HPGDNPSR1ALDH3A1
SCHEMBL7814814 0.75 POLB (0.49) TDP1SIRT6POLBMAPTMEN1
SCHEMBL13107184 0.74 MAPT (0.43) TDP1ALDH1A1NPSR1HSPB1POLB
SCHEMBL1679873 0.74 MEN1 (0.40) TDP1ALDH1A1HPGDNPSR1ALDH3A1
SCHEMBL1640894 0.72 SIRT6 (0.48) TDP1SIRT6POLBMAPTMEN1
SCHEMBL29679513 0.72 SIRT6 (0.48) TDP1SIRT6POLBMAPTMEN1
SCHEMBL10675557 0.72 TDP1 (0.61) TDP1ALDH1A1HPGDNPSR1SIRT6
SCHEMBL1780579 0.71 TDP1 (0.46) TDP1ALDH1A1HPGDNPSR1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305649-B1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF NIPPON KAYAKU KK (JP) 2013-04-24 EP disclosed
US-8367833-B2 Process for producing 6-aryloxyquinoline derivative and intermediate therefor NIPPON KAYAKU CO., LTD. (JP) 2013-02-05 US disclosed
US-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2011-05-19 US disclosed
EP-2305649-A1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF Nippon Kayaku Co., Ltd. (JP) 2011-04-06 EP 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-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR FAR1, CYP4F11, WEE2 TDP1 3673/4885ALDH1A1 335/4885HPGD 684/4885

“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.