SCHEMBL1679937

SCHEMBL1679937

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
MITF O75030 1/20 0.42
ALDH3A1 P30838 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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 0.89 TDP1 (0.49) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL1679941 0.88 USP10 (0.44) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL1780310 0.88 TDP1 (0.57) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL1679943 0.87 KMT2A (0.40) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL1679925 0.83 MAPT (0.43) TDP1NPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1679929 0.83 KMT2A (0.44) NPSR1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1679874 0.81 MAPT (0.40) TDP1NPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1780579 0.81 TDP1 (0.46) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL7688039 0.81 MEN1 (0.45) TDP1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL13107195 0.81 MAPT (0.43) TDP1NPSR1ALDH1A1KMT2ASMN1; SMN2

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 3673/4885NPSR1 4032/4885ALDH1A1 335/4885

“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.