SCHEMBL1679893

SCHEMBL1679893

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE7A Q13946 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.45
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
PNLIP P16233 1/20 0.43
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1679963 0.93 TDP1 (0.64) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL9543906 0.86 MEN1 (0.56) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL17530357 0.83 TDP1 (0.76) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL9677406 0.83 TDP1 (0.83) TDP1POLBMAPTHPGDALDH1A1
Bifenox SCHEMBL38816 0.83 TDP1 (1.00) TDP1POLBMAPTHPGDALDH1A1
Bifenox SCHEMBL8541647 0.83 TDP1 (1.00) TDP1POLBMAPTHPGDALDH1A1
Bifenox SCHEMBL30862569 0.83 TDP1 (1.00) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL10792602 0.82 TDP1 (0.78) TDP1POLBMAPTHPGDALDH1A1
Bifenox SCHEMBL28419037 0.82 TDP1 (0.98) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL23111302 0.81 TDP1 (0.76) TDP1POLBMAPTALDH1A1PDE7A

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 5 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
CN-102149684-A Process for producing 6-aryloxyquinoline derivative and intermediate therefor NIPPON KAYAKU KK 2011-08-10 CN 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 3673/4885POLB 3735/4885MAPT 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.