SCHEMBL2904093

SCHEMBL2904093

C[C@H]1NC(=O)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
TGM2 P21980 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
PBRM1 Q86U86 1/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP1 P09874 1/20 0.39
AGTR1 P30556 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PTPRC P08575 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 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
SCHEMBL29676714 1.00 CYP1A2 (0.42) CYP1A2MAPK1TGM2CES1S100A4
SCHEMBL16098250 1.00 CYP1A2 (0.42) CYP1A2MAPK1TGM2CES1S100A4
SCHEMBL20529362 0.85 MKNK2 (0.46) TGM2CES1S100A4PBRM1PARP10
SCHEMBL12240953 0.79 KDM4E (0.44) CYP1A2PBRM1PARP10PARP1MKNK1
SCHEMBL12241460 0.79 KDM4E (0.44) CYP1A2PBRM1PARP10PARP1MKNK1
SCHEMBL12241449 0.79 KDM4E (0.44) CYP1A2PBRM1PARP10PARP1MKNK1
SCHEMBL18863238 0.78 ACHE (0.42) PARP10PARP1MKNK1MKNK2ALOX5
SCHEMBL18878150 0.78 ACHE (0.42) PARP10PARP1MKNK1MKNK2ALOX5
SCHEMBL12219994 0.78 MKNK2 (0.40) MAPK1S100A4MKNK1MKNK2PTPRC
SCHEMBL18878104 0.78 ACHE (0.42) PARP10PARP1MKNK1MKNK2ALOX5

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
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-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
CN-1296369-C Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate TOYAMA CHEMICAL CO LTD (JP) 2007-01-24 CN 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
CN-1616455-A Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate TOYAMA CHEMICAL CO LTD (JP) 2005-05-18 CN disclosed
CN-1195752-C Process for producing 7-isoindoline-quinolonecarboxylic acid derivative and intermediate thereof, salt of 7-isoindoline-quinolonecarboxylic acid derivative, hydrate thereof and package TOYAMA CHEMICAL CO LTD (JP) 2005-04-06 CN disclosed
CN-1515555-A Method for preparing 7-bromine quinolone carboxylic acid derivative or its salt ��ɽ��ѧ��ҵ��ʽ���� 2004-07-28 CN 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
CN-1278257-A Process for producing 7-isoindoline-quinolonecarboxylic acid derivative and intermediate thereof, salt of 7-isoindoline-quinolonecarboxylic acid derivative and hydrate thereof, and composition comprising the same as active ingredient TOYAMA CHEMICAL CO LTD (JP) 2000-12-27 CN 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 (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 CYP1A2 148/4885MAPK1 249/4885TGM2 4592/4885
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 CYP1A2 47/4885MAPK1 2624/4885TGM2 4696/4885
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 CYP1A2 55/4885MAPK1 2421/4885TGM2 4741/4885

“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.