SCHEMBL1679945

SCHEMBL1679945

COC(=O)c1cc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 2/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL1679942 0.90 POLB (0.41) TDP1L3MBTL1PKMLMNAPOLB
SCHEMBL1679975 0.90 MEN1 (0.44) L3MBTL1PKMLMNAPOLBHTT
SCHEMBL1679898 0.90 TDP1 (0.47) TDP1L3MBTL1PKMLMNAMAPT
SCHEMBL1679907 0.86 L3MBTL1 (0.41) L3MBTL1PKMLMNAPOLBHTT
SCHEMBL1679895 0.84 LMNA (0.40) L3MBTL1PKMLMNAMAPTMEN1
SCHEMBL1953578 0.77 POLB (0.61) L3MBTL1PKMLMNAPOLBHTT
SCHEMBL1780579 0.75 TDP1 (0.46) TDP1L3MBTL1PKMLMNAPOLB
SCHEMBL19426395 0.75 POLB (0.56) L3MBTL1PKMLMNAPOLBHTT
SCHEMBL3663221 0.71 POLB (0.54) L3MBTL1PKMLMNAPOLBHTT
SCHEMBL10786894 0.71 TDP1 (0.65) TDP1L3MBTL1HTTMAPTMEN1

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 3673/4885L3MBTL1 4063/4885PKM 1314/4885

“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.