SCHEMBL4998765

SCHEMBL4998765

COc1c(-c2ccc3c(c2)CN(C)C3)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
GSK3B P49841 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TOP2A P11388 4/20 0.43
TOP2B Q02880 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4998742 0.89 KCNH2 (0.46) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4998732 0.88 TOP2A (0.46) KCNH2GSK3BKDM4EALDH1A1POLB
SCHEMBL5001686 0.87 KCNH2 (0.50) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL7011028 0.85 TOP2A (0.57) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4996399 0.84 TOP2A (0.45) KCNH2GSK3BKDM4EALDH1A1POLB
SCHEMBL7497783 0.84 GSK3B (0.48) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4991066 0.82 KDM4E (0.48) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4996678 0.80 KDM4E (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4996671 0.79 KCNH2 (0.47) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL7497108 0.79 KCNH2 (0.47) KCNH2GSK3BKDM4EHPGDALDH1A1

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
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-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
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 (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 KCNH2 979/4885GSK3B 3104/4885KDM4E 3440/4885
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 KCNH2 52/4885GSK3B 3262/4885KDM4E 601/4885
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 KCNH2 80/4885GSK3B 3277/4885KDM4E 591/4885

“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.