SCHEMBL4998748

SCHEMBL4998748

O=C(O)c1cn(C2CC2)c2c(Cl)c(-c3ccc4c(c3)CNC4)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.46
TOP2B Q02880 8/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 3/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKD3 O94806 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
SCHEMBL4996031 0.88 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL4998787 0.88 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL5001686 0.86 KCNH2 (0.50) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL5001842 0.86 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7007995 0.84 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL5001592 0.83 TOP2A (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL4990107 0.81 KDM4E (0.50) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL4995222 0.79 TOP2A (0.42) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7006628 0.78 TOP2A (0.56) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL7503095 0.78 HDAC1 (0.40) TOP2ATOP2BALDH1A1POLBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371868-B2 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) 2008-05-13 US disclosed
US-20070225506-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) 2007-09-27 US disclosed
US-20050203301-A1 Processes for producing 7-isoindoline-quinolone carboxylic 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) 2005-09-15 US disclosed
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 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-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
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
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 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 (3 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-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 TOP2A 206/4885TOP2B 92/4885ALDH1A1 111/4885
US-20050203301-A1 Processes for producing 7-isoindoline-quinolone carboxylic 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 KCNQ2, CYP4X1, HAAO TOP2A 596/4885TOP2B 343/4885ALDH1A1 227/4885
US-20070225506-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 DHX15, HAAO, DHX35 TOP2A 664/4885TOP2B 327/4885ALDH1A1 207/4885

“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.