SCHEMBL2081998

SCHEMBL2081998

CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(Br)ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
KCNH2 Q12809 5/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
GSK3B P49841 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL7496082 0.88 KCNH2 (0.48) ADRB2KCNH2TDP1LMNAMEN1
SCHEMBL2903740 0.86 KCNH2 (0.50) KCNH2TDP1MEN1KMT2AALOX15
SCHEMBL7507103 0.85 ADRB2 (0.55) ADRB2KCNH2TDP1LMNAKMT2A
SCHEMBL4297280 0.85 ADRB2 (0.54) ADRB2KCNH2TDP1KMT2AALOX15
SCHEMBL5733629 0.84 ADRB2 (0.48) ADRB2KCNH2TDP1LMNAMEN1
SCHEMBL7122628 0.83 KCNH2 (0.44) ADRB2KCNH2TDP1LMNAMEN1
SCHEMBL5733501 0.83 TOP2A (0.45) ADRB2KCNH2TDP1MEN1MAPT
SCHEMBL7504273 0.83 ADRB2 (0.47) ADRB2KCNH2TDP1LMNAMEN1
SCHEMBL1984659 0.82 ADRB2 (0.58) ADRB2KCNH2TDP1KMT2AALOX15
SCHEMBL7500713 0.82 ADRB2 (0.47) ADRB2KCNH2TDP1LMNAMEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777631-A Synthesizing method of 1-cyclopropyl-4-oxo-7-bromo-8-difluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 浙江中欣氟材股份有限公司 2016-07-20 CN disclosed
CN-105777631-A Synthesizing method of 1-cyclopropyl-4-oxo-7-bromo-8-difluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 浙江中欣氟材股份有限公司 2016-07-20 CN disclosed
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
WO-2013121439-A2 PROCESS FOR GARENOXACIN MESYLATE GLENMARK GENERICS LIMITED (IN) 2013-08-22 WO disclosed
WO-2011124093-A1 BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-10-13 WO disclosed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
EP-1031569-B1 SALT OF A 7-ISOINDOLINEQUINOLONECARBOXYLIC ACID DERIVATIVE, MONOHYDRATE THEREOF AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO LTD (JP) 2010-03-17 EP disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6482835-B2 SUCH AS (R)-1-CYCLOPROPYL-8-DIFLUOROMETHOXY-7-(1-METHYL-2,3-DIHYDRO-1H-5-ISOINDOLYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYL IC ACID METHANESULFONATE; CHEMICAL INTERMEDIATES; BACTERICIDES; CATALYSIS TOYAMA CHEMICAL CO., LTD. (JP) 2002-11-19 US disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
US-20020049328-A1 Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient TOYAMA CHEMICAL CO., LTD. (JP) 2002-04-25 US disclosed
US-6337399-B1 CONDENSATION OF ISOINDOLE WITH BORATE GROUP WITH QUINOLONE CARBOXYLIC ACID TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-08 US disclosed
US-6316658-B1 QUINOLONE CARBOXYLATE CHEMICAL INTERMEDIATES; MICROBIOCIDES, BACTERICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-13 US disclosed
EP-1031555-A1 N-CYCLOPROPYL-2-DIFLUOROMETHOXY-3-HALOGENOANILINES AND INTERMEDIATES FOR THE PREPARATION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-30 EP disclosed
EP-1031569-A1 PROCESSES FOR PRODUCING 7-ISOINDOLINEQUINOLONECARBOXYLIC DERIVATIVES AND INTERMEDIATES THEREFOR, SALTS OF 7-ISOINDOLINEQUINOLONECARBOXYLIC ACIDS, HYDRATES THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO., LTD. (JP) 2000-08-30 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 ADRB2 3198/4885KCNH2 2211/4885TDP1 2273/4885
US-20020049328-A1 Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient BRD7, IMPDH1, DDT ADRB2 1117/4885KCNH2 979/4885TDP1 1644/4885

“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.