SCHEMBL4996399

SCHEMBL4996399

CN1Cc2ccc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C(F)(F)F)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.45
TOP2B Q02880 8/20 0.45
KCNH2 Q12809 4/20 0.40
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL4998732 0.87 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4ESMN1; SMN2
SCHEMBL5001842 0.86 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4ESMN1; SMN2
SCHEMBL7009585 0.86 TOP2A (0.57) TOP2ATOP2BKCNH2KDM4ECYP1A2
SCHEMBL4998765 0.84 KCNH2 (0.52) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL4998742 0.83 KCNH2 (0.46) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL7493758 0.83 TMEM97 (0.42) TOP2ATOP2BGSK3B
SCHEMBL4996678 0.80 KDM4E (0.49) TOP2ATOP2BKCNH2KDM4ESMN1; SMN2
SCHEMBL4998901 0.79 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4ESMN1; SMN2
SCHEMBL7007516 0.79 KDM4E (0.52) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL7009271 0.78 TOP2A (0.72) TOP2ATOP2BKCNH2GSK3BALDH1A1

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 9 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
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 TOP2A 206/4885TOP2B 92/4885KCNH2 979/4885
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 343/4885KCNH2 52/4885
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 327/4885KCNH2 80/4885

“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.