SCHEMBL8875867

SCHEMBL8875867

COC(=O)C(Cl)C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 2/20 0.43
KCNQ1 P51787 2/20 0.43
KCNQ5 Q9NR82 1/20 0.43
SLC6A3 Q01959 3/20 0.42
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
SLC6A2 P23975 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRND Q07001 2/20 0.42
MAOB P27338 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29037468 0.98 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL9219903 0.88 CHRNA1 (0.55) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4714984 0.85 KCNQ3 (0.38) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL10778548 0.84 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL9128573 0.81 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL1533349 0.79 RAB9A (0.44) MEN1MAPTCASP3KMT2ASENP7
SCHEMBL9431238 0.77 MEN1 (0.49) MEN1MAPTKMT2ALMNAHTT
SCHEMBL29825107 0.77 ALDH1A1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL15968586 0.77 ALDH1A1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL27243952 0.77 CES2 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105792-B Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2023-03-31 CN claimed
CN-114105792-A Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2022-03-01 CN claimed
CN-114105792-B Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2023-03-31 CN disclosed
CN-114105792-A Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2022-03-01 CN disclosed
CN-107151242-B 2-azolothiochromone compound, synthesis method thereof and application thereof in preparation of antifungal drugs 南京工业大学 2020-05-22 CN disclosed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US disclosed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP disclosed
CN-1298875-A Process for preparing dinorfloxacin CHAOYAO INST OF FINE CHEMICAL (CN) 2001-06-13 CN disclosed
US-5672708-A Process for the preparation of N-arylaminoacrylic acid derivatives and the use of N-arylaminoacrylic acid derivatives thus prepared for the preparation of 4-quinolone-3-carboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-4611080-A Preparation of halogenated aroylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 US 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-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF TXN2, TXN, TXNRD2 KCNQ3 2417/4885KCNQ2 2937/4885KCNE1 2094/4885

“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.