SCHEMBL1679943

SCHEMBL1679943

Cc1cc([N+](=O)[O-])c(C(=O)OC(C)C)cc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH3A1 P30838 1/20 0.38
HSPB1 P04792 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
EIF4E P06730 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL22966186 0.91 HSPB1 (0.47) KMT2ASMN1; SMN2CRHBPCRHR2MITF
SCHEMBL1679873 0.90 MEN1 (0.40) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL23086263 0.89 MAPT (0.42) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL28694262 0.88 SLC6A4 (0.39) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL22966278 0.88 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL22966233 0.88 TDP1 (0.48) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL1679937 0.87 TDP1 (0.50) KMT2ASMN1; SMN2MEN1MITFNPSR1
SCHEMBL1679941 0.85 USP10 (0.44) KMT2ASMN1; SMN2MEN1CRHBPCRHR2
SCHEMBL28701917 0.85 MERTK (0.48) KMT2ASMN1; SMN2CRHBPCRHR2MITF
SCHEMBL1679876 0.83 SLC6A4 (0.41) SLC6A2SLC6A4SCN8ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658835-A Preparation method of pesticide flubendiamide intermediate 湖北磊源生物技术有限公司 2024-03-08 CN claimed
CN-117658835-A Preparation method of pesticide flubendiamide intermediate 湖北磊源生物技术有限公司 2024-03-08 CN disclosed
CN-117658835-A Preparation method of pesticide flubendiamide intermediate 湖北磊源生物技术有限公司 2024-03-08 CN disclosed
CN-110272452-B Quinoline derivatives, preparation method and application thereof 山东中农联合生物科技股份有限公司 2022-01-11 CN disclosed
CN-113880805-A 4-substituted quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-01-04 CN disclosed
CN-112794817-A Quinoline derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2021-05-14 CN disclosed
CN-110437144-B Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2021-03-26 CN disclosed
US-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2021-02-11 US disclosed
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 (2 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 KMT2A 902/4885SMN1; SMN2 4873/4885MEN1 2109/4885
US-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF NQO2, RDX, RIN1 KMT2A 2143/4885SMN1; SMN2 2216/4885MEN1 901/4885

“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.