SCHEMBL2898552

SCHEMBL2898552

CC1c2ccc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)cc2CN1C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
TOP2A P11388 5/20 0.39
TOP2B Q02880 5/20 0.39
KDM4E B2RXH2 6/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2898551 1.00 KCNH2 (0.40) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL2898547 0.91 ADRB2 (0.38) KCNH2TOP2ATOP2BHPGDTDP1
SCHEMBL4994704 0.91 ADRB2 (0.38) KCNH2TOP2ATOP2BHPGDTDP1
SCHEMBL2898546 0.91 ADRB2 (0.38) KCNH2TOP2ATOP2BHPGDTDP1
SCHEMBL12673661 0.89 KCNH2 (0.41) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL12665504 0.88 KCNH2 (0.43) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL7498463 0.86 KDM4E (0.38) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL7497106 0.86 GSK3B (0.41) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL12280005 0.85 KCNH2 (0.38) KCNH2TOP2ATOP2BKDM4EHPGD
SCHEMBL4994707 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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 979/4885TOP2A 206/4885TOP2B 92/4885
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 52/4885TOP2A 596/4885TOP2B 343/4885

“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.