SCHEMBL1679963

SCHEMBL1679963

COC(=O)c1cc(Oc2ccc(OC)cc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
RAF1 P04049 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 2/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.45
MERTK Q12866 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL1679893 0.93 TDP1 (0.71) TDP1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11276396 0.83 TDP1 (0.83) TDP1ALDH1A1MAPTMAPK1LMNA
SCHEMBL10792602 0.82 TDP1 (0.78) TDP1ALDH1A1MAPTMAPK1LMNA
SCHEMBL3898466 0.79 TDP1 (0.54) TDP1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11483979 0.79 PDE7A (0.50) TDP1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11683094 0.78 TDP1 (0.53) TDP1ALDH1A1MAPTLMNAHPGD
SCHEMBL11922589 0.78 TDP1 (0.54) TDP1ALDH1A1MAPTLMNAPOLB
Bifenox SCHEMBL30862569 0.78 TDP1 (1.00) TDP1ALDH1A1MAPTMAPK1LMNA
Bifenox SCHEMBL38816 0.78 TDP1 (1.00) TDP1ALDH1A1MAPTMAPK1LMNA
Bifenox SCHEMBL8541647 0.78 TDP1 (1.00) TDP1ALDH1A1MAPTMAPK1LMNA

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 335/4885MAPT 4340/4885

“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.